| 1 | num_bonds | num_atoms | _original_file | _batch_id | mol_weight | smiles | _source_file | inchi | num_rings | _ring_size |
|---|
| 2 | 41 | 38 | | | 558.13272145 | C[C@@H]1N[P@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2OC(=O)CCCOC1=O | | InChI=1S/C22H25F2N4O9P/c1-13-19(30)33-11-5-8-17(29)36-18-15(12-34-38(32,27-13)37-14-6-3-2-4-7-14)35-20(22(18,23)24)28-10-9-16(25)26-21(28)31/h2-4,6-7,9-10,13,15,18,20H,5,8,11-12H2,1H3,(H,27,32)(H2,25,26,31)/t13-,15+,18+,20+,38+/m0/s1 | 4 | |
| 3 | 41 | 38 | | | 555.1418089139999 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(F)[C@@H]2OC(=O)CCCOC1=O | | InChI=1S/C23H27FN3O10P/c1-14-20(30)33-12-6-9-18(29)36-19-16(13-34-38(32,26-14)37-15-7-4-3-5-8-15)35-21(23(19,2)24)27-11-10-17(28)25-22(27)31/h3-5,7-8,10-11,14,16,19,21H,6,9,12-13H2,1-2H3,(H,26,32)(H,25,28,31)/t14-,16+,19+,21+,23+,38-/m0/s1 | 4 | |
| 4 | 39 | 36 | | | 523.1355806619998 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2OC(=O)CCCOC1=O | | InChI=1S/C22H26N3O10P/c1-14-21(28)31-11-5-8-20(27)34-16-12-19(25-10-9-18(26)23-22(25)29)33-17(16)13-32-36(30,24-14)35-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16-17,19H,5,8,11-13H2,1H3,(H,24,30)(H,23,26,29)/t14-,16-,17+,19+,36-/m0/s1 | 4 | |
| 5 | 34 | 32 | | | 436.188588616 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C26H28O6/c1-18-9-8-14-21(27)13-7-3-6-12-20-15-22(16-23(28)25(20)26(30)32-18)31-17-24(29)19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,28H,3,7-9,13-14,17H2,1H3/b12-6+/t18-/m0/s1 | 3 | |
| 6 | 44 | 41 | | | 604.1594859239999 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H32Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h6-7,12-17,20H,2-5,8-11,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 7 | 44 | 41 | | | 634.08473478 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1 | 4 | |
| 8 | 48 | 45 | | | 616.2672328599999 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C36H40O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h12-21,24H,4-11,22-23H2,1-3H3/t24-/m0/s1 | 4 | |
| 9 | 44 | 41 | | | 602.14383586 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3/b9-3+/t20-/m0/s1 | 4 | |
| 10 | 44 | 41 | | | 636.100384844 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H32Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h10-17,20H,2-9,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 11 | 48 | 45 | | | 614.251582796 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3/b9-5+/t24-/m0/s1 | 4 | |
| 12 | 24 | 23 | | | 318.14672380400003 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 | 2 | |
| 13 | 26 | 25 | | | 346.17802393200003 | COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C20H26O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h5,9,12-14H,4,6-8,10-11H2,1-3H3/b9-5+/t14-/m0/s1 | 2 | |
| 14 | 26 | 25 | | | 346.17802393200003 | COc1cc2c(c(OC)c1)C(=O)OC(C)CCCC(=O)CCCC=C2 | | InChI=1S/C20H26O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h5,9,12-14H,4,6-8,10-11H2,1-3H3 | 2 | |
| 15 | 60 | 58 | | | 836.5245697319998 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)/C(=N\OCOCCOC)C(C)C(O)C1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+ | 3 | |
| 16 | 24 | 23 | | | 322.1780239319999 | CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3 | 2 | |
| 17 | 24 | 23 | | | 320.1623738679999 | CC1CCCC(O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3 | 2 | |
| 18 | 24 | 23 | | | 320.1623738679999 | CC1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3 | 2 | |
| 19 | 26 | 25 | | | 348.19367399600003 | COc1cc2c(c(OC)c1)C(=O)OC(C)CCCC(=O)CCCCC2 | | InChI=1S/C20H28O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h12-14H,4-11H2,1-3H3 | 2 | |
| 20 | 73 | 72 | | | 1055.6426362640002 | CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O | | InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1 | 3 | |
| 21 | 62 | 60 | | | 861.5085853200001 | CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1 | 3 | |
| 22 | 60 | 58 | | | 836.524569732 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 | 3 | |
| 23 | 54 | 52 | | | 747.476891268 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 | 3 | |
| 24 | 26 | 25 | | | 347.1732729 | COc1cc(O)c2c(c1)/C=C/CCC/C(=N/O)CCC[C@H](C)OC2=O | | InChI=1S/C19H25NO5/c1-13-7-6-10-15(20-23)9-5-3-4-8-14-11-16(24-2)12-17(21)18(14)19(22)25-13/h4,8,11-13,21,23H,3,5-7,9-10H2,1-2H3/b8-4+,20-15-/t13-/m0/s1 | 2 | |
| 25 | 61 | 58 | | | 834.545305176 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O | | InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3 | 4 | |
| 26 | 40 | 37 | | | 498.2406241879999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2C(=O)O1 | | InChI=1S/C32H34O5/c1-24-12-11-19-28(33)18-10-4-9-17-27-20-29(35-22-25-13-5-2-6-14-25)21-30(31(27)32(34)37-24)36-23-26-15-7-3-8-16-26/h2-3,5-9,13-17,20-21,24H,4,10-12,18-19,22-23H2,1H3/b17-9+/t24-/m0/s1 | 4 | |
| 27 | 34 | 32 | | | 436.1885886159999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C26H28O6/c1-18-9-8-14-21(27)13-7-3-6-12-20-15-22(16-23(28)25(20)26(30)32-18)31-17-24(29)19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,28H,3,7-9,13-14,17H2,1H3/t18-/m0/s1 | 3 | |
| 28 | 35 | 33 | | | 456.17841785599984 | COC(=O)c1ccc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)o1 | | InChI=1S/C25H28O8/c1-16-7-6-10-18(26)9-5-3-4-8-17-13-20(14-21(27)23(17)25(29)32-16)31-15-19-11-12-22(33-19)24(28)30-2/h4,8,11-14,16,27H,3,5-7,9-10,15H2,1-2H3/t16-/m0/s1 | 3 | |
| 29 | 32 | 30 | | | 408.1936739959999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H28O5/c1-18-9-8-14-21(26)13-7-3-6-12-20-15-22(16-23(27)24(20)25(28)30-18)29-17-19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,27H,3,7-9,13-14,17H2,1H3/t18-/m0/s1 | 3 | |
| 30 | 30 | 28 | | | 388.1885886159999 | COc1cc(OCC2CO2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 | | InChI=1S/C22H28O6/c1-15-7-6-10-17(23)9-5-3-4-8-16-11-18(26-13-19-14-27-19)12-20(25-2)21(16)22(24)28-15/h4,8,11-12,15,19H,3,5-7,9-10,13-14H2,1-2H3/t15-,19?/m0/s1 | 3 | |
| 31 | 25 | 24 | | | 336.1936739959999 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@@H](O)CCCCC2 | | InChI=1S/C19H28O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h11-13,15,20-21H,3-10H2,1-2H3/t13-,15-/m0/s1 | 2 | |
| 32 | 42 | 39 | | | 526.1991532999999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c2C(=O)O1 | | InChI=1S/C32H30O7/c1-22-12-11-19-26(33)18-10-4-9-17-25-20-27(38-30(34)23-13-5-2-6-14-23)21-28(29(25)32(36)37-22)39-31(35)24-15-7-3-8-16-24/h2-3,5-9,13-17,20-22H,4,10-12,18-19H2,1H3/t22-/m0/s1 | 4 | |
| 33 | 33 | 32 | | | 459.217636248 | C[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)CCCC=Cc2cc(O)cc(O)c2C(=O)O1.[Cl-] | | InChI=1S/C26H33NO4.ClH/c1-19-9-8-14-22(27-16-15-20-10-4-2-5-11-20)13-7-3-6-12-21-17-23(28)18-24(29)25(21)26(30)31-19;/h2,4-6,10-12,17-19,22,27-29H,3,7-9,13-16H2,1H3;1H/t19-,22-;/m0./s1 | 3 | |
| 34 | 35 | 33 | | | 453.1787522039999 | C[C@@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27NO7/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)33-17)32-16-18-10-12-20(13-11-18)26(30)31/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/t17-/m1/s1 | 3 | |
| 35 | 62 | 60 | | | 861.5085853200001 | CCC(=O)OCCC(=O)O[C@H]1C(O[C@@H]2[C@@H](C)[C@H](OC3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)O)O[C@H](C)C[C@@H]1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)17-18-54-30(45)16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27-,28+,29-,32?,34+,35-,36-,37-,38-,40?,41?,42+,43-/m1/s1 | 3 | |
| 36 | 54 | 52 | | | 748.4721402359999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C(C)(O)C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23-,24+,25-,26?,28-,29+,30-,31-,32-,34?,35?,36+,37-/m1/s1 | 3 | |
| 37 | 53 | 51 | | | 733.4612412039999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 | 3 | |
| 38 | 33 | 33 | | | 483.2387656159999 | COc1cc2c(c(OCC(O)C[NH2+]C(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2.[Cl-] | | InChI=1S/C25H37NO6.ClH/c1-17(2)26-15-21(28)16-31-23-14-22(30-4)13-19-10-6-5-7-11-20(27)12-8-9-18(3)32-25(29)24(19)23;/h6,10,13-14,17-18,21,26,28H,5,7-9,11-12,15-16H2,1-4H3;1H/t18-,21?;/m0./s1 | 2 | |
| 39 | 43 | 40 | | | 551.2883026519999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3)cc(OCC(O)CN3CCOCC3)c2C(=O)O1 | | InChI=1S/C32H41NO7/c1-24-9-8-14-27(34)13-7-3-6-12-26-19-29(38-22-25-10-4-2-5-11-25)20-30(31(26)32(36)40-24)39-23-28(35)21-33-15-17-37-18-16-33/h2,4-6,10-12,19-20,24,28,35H,3,7-9,13-18,21-23H2,1H3/t24-,28?/m0/s1 | 4 | |
| 40 | 42 | 40 | | | 555.2832172719999 | COc1ccc(CCNC(=O)COc2cc3c(c(OC)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1OC | | InChI=1S/C31H41NO8/c1-21-9-8-12-24(33)11-7-5-6-10-23-18-25(19-28(38-4)30(23)31(35)40-21)39-20-29(34)32-16-15-22-13-14-26(36-2)27(17-22)37-3/h13-14,17-19,21H,5-12,15-16,20H2,1-4H3,(H,32,34)/t21-/m0/s1 | 3 | |
| 41 | 15 | 15 | | | 212.177630008 | O=C1CCCCCCCCCCCCO1 | | InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2 | 1 | |
| 42 | 36 | 33 | | | 448.1885886159999 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccccc1)CC(=O)O3 | | InChI=1S/C27H28O6/c1-17-9-8-14-20(28)13-7-3-6-12-19-15-22-25(26(30)24(19)27(31)32-17)21(16-23(29)33-22)18-10-4-2-5-11-18/h2,4-6,10-12,15,17,21,30H,3,7-9,13-14,16H2,1H3 | 4 | |
| 43 | 35 | 33 | | | 456.17841785599984 | COC(=O)c1ccc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@@H](C)OC3=O)o1 | | InChI=1S/C25H28O8/c1-16-7-6-10-18(26)9-5-3-4-8-17-13-20(14-21(27)23(17)25(29)32-16)31-15-19-11-12-22(33-19)24(28)30-2/h4,8,11-14,16,27H,3,5-7,9-10,15H2,1-2H3/t16-/m1/s1 | 3 | |
| 44 | 17 | 17 | | | 242.151809184 | CC1COC(=O)CCCCCCCCC(=O)O1 | | InChI=1S/C13H22O4/c1-11-10-16-12(14)8-6-4-2-3-5-7-9-13(15)17-11/h11H,2-10H2,1H3 | 1 | |
| 45 | 16 | 16 | | | 226.193280072 | C[C@H]1CCCCCCCCCCCOC1=O | | InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-16-14(13)15/h13H,2-12H2,1H3/t13-/m0/s1 | 1 | |
| 46 | 34 | 32 | | | 436.1885886159999 | C[C@@H]1CCCC(=O)CCCC=Cc2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C26H28O6/c1-18-9-8-14-21(27)13-7-3-6-12-20-15-22(16-23(28)25(20)26(30)32-18)31-17-24(29)19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,28H,3,7-9,13-14,17H2,1H3/t18-/m1/s1 | 3 | |
| 47 | 40 | 37 | | | 498.2406241879999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2C(=O)O1 | | InChI=1S/C32H34O5/c1-24-12-11-19-28(33)18-10-4-9-17-27-20-29(35-22-25-13-5-2-6-14-25)21-30(31(27)32(34)37-24)36-23-26-15-7-3-8-16-26/h2-3,5-9,13-17,20-21,24H,4,10-12,18-19,22-23H2,1H3/t24-/m0/s1 | 4 | |
| 48 | 26 | 25 | | | 346.1780239319999 | COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 | | InChI=1S/C20H26O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h5,9,12-14H,4,6-8,10-11H2,1-3H3/t14-/m0/s1 | 2 | |
| 49 | 25 | 24 | | | 332.1623738679999 | COc1cc(O)c2c(c1)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C19H24O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,8,11-13,21H,3,5-7,9-10H2,1-2H3/t13-/m0/s1 | 2 | |
| 50 | 37 | 34 | | | 464.2198887439999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3)cc(OCC3CO3)c2C(=O)O1 | | InChI=1S/C28H32O6/c1-20-9-8-14-23(29)13-7-3-6-12-22-15-24(31-17-21-10-4-2-5-11-21)16-26(27(22)28(30)34-20)33-19-25-18-32-25/h2,4-6,10-12,15-16,20,25H,3,7-9,13-14,17-19H2,1H3/t20-,25?/m0/s1 | 4 | |
| 51 | 33 | 31 | | | 426.18425218399994 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3F)cc(O)c2C(=O)O1 | | InChI=1S/C25H27FO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/t17-/m0/s1 | 3 | |
| 52 | 37 | 35 | | | 478.2719243159999 | Cc1c(C)c(C)c(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)c(C)c1C | | InChI=1S/C30H38O5/c1-18-11-10-14-25(31)13-9-7-8-12-24-15-26(16-28(32)29(24)30(33)35-18)34-17-27-22(5)20(3)19(2)21(4)23(27)6/h8,12,15-16,18,32H,7,9-11,13-14,17H2,1-6H3/t18-/m0/s1 | 3 | |
| 53 | 36 | 34 | | | 466.19915329999986 | COC(=O)c1ccc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)cc1 | | InChI=1S/C27H30O7/c1-18-7-6-10-22(28)9-5-3-4-8-21-15-23(16-24(29)25(21)27(31)34-18)33-17-19-11-13-20(14-12-19)26(30)32-2/h4,8,11-16,18,29H,3,5-7,9-10,17H2,1-2H3/t18-/m0/s1 | 3 | |
| 54 | 34 | 32 | | | 504.09476425199995 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc(Br)cc3F)cc(O)c2C(=O)O1 | | InChI=1S/C25H26BrFO5/c1-16-6-5-9-20(28)8-4-2-3-7-17-12-21(14-23(29)24(17)25(30)32-16)31-15-18-10-11-19(26)13-22(18)27/h3,7,10-14,16,29H,2,4-6,8-9,15H2,1H3/t16-/m0/s1 | 3 | |
| 55 | 57 | 55 | | | 789.4874559519999 | CCC(=O)O[C@@H]1[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@@H](C)C[C@H]1N(C)C | | InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21+,22+,23+,24-,25-,26-,27-,29-,31+,32+,33-,34-,35-,37-,38-,39+,40-/m1/s1 | 3 | |
| 56 | 33 | 31 | | | 442.15470164399994 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3cccc(Cl)c3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-7-5-12-21(27)11-4-2-3-9-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-8-6-10-20(26)13-18/h3,6,8-10,13-15,17,28H,2,4-5,7,11-12,16H2,1H3/t17-/m0/s1 | 3 | |
| 57 | 36 | 34 | | | 476.18105862399995 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3cccc(C(F)(F)F)c3)cc(O)c2C(=O)O1 | | InChI=1S/C26H27F3O5/c1-17-7-5-12-21(30)11-4-2-3-9-19-14-22(15-23(31)24(19)25(32)34-17)33-16-18-8-6-10-20(13-18)26(27,28)29/h3,6,8-10,13-15,17,31H,2,4-5,7,11-12,16H2,1H3/t17-/m0/s1 | 3 | |
| 58 | 32 | 30 | | | 410.2093240599999 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H30O5/c1-18-9-8-14-21(26)13-7-3-6-12-20-15-22(16-23(27)24(20)25(28)30-18)29-17-19-10-4-2-5-11-19/h2,4-5,10-11,15-16,18,27H,3,6-9,12-14,17H2,1H3/t18-/m0/s1 | 3 | |
| 59 | 34 | 32 | | | 436.2249741239999 | Cc1ccc(C)c(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)c1 | | InChI=1S/C27H32O5/c1-18-12-13-19(2)22(14-18)17-31-24-15-21-9-5-4-6-10-23(28)11-7-8-20(3)32-27(30)26(21)25(29)16-24/h5,9,12-16,20,29H,4,6-8,10-11,17H2,1-3H3/t20-/m0/s1 | 3 | |
| 60 | 33 | 31 | | | 422.2093240599999 | Cc1ccc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)cc1 | | InChI=1S/C26H30O5/c1-18-11-13-20(14-12-18)17-30-23-15-21-8-4-3-5-9-22(27)10-6-7-19(2)31-26(29)25(21)24(28)16-23/h4,8,11-16,19,28H,3,5-7,9-10,17H2,1-2H3/t19-/m0/s1 | 3 | |
| 61 | 33 | 31 | | | 422.2093240599999 | Cc1ccccc1COc1cc(O)c2c(c1)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C26H30O5/c1-18-9-6-7-12-21(18)17-30-23-15-20-11-4-3-5-13-22(27)14-8-10-19(2)31-26(29)25(20)24(28)16-23/h4,6-7,9,11-12,15-16,19,28H,3,5,8,10,13-14,17H2,1-2H3/t19-/m0/s1 | 3 | |
| 62 | 40 | 37 | | | 503.23078777599994 | Cc1c(C(=O)COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)c2ccccc2n1C | | InChI=1S/C30H33NO6/c1-19-10-9-13-22(32)12-6-4-5-11-21-16-23(17-26(33)29(21)30(35)37-19)36-18-27(34)28-20(2)31(3)25-15-8-7-14-24(25)28/h5,7-8,11,14-17,19,33H,4,6,9-10,12-13,18H2,1-3H3/t19-/m0/s1 | 4 | |
| 63 | 34 | 32 | | | 434.2093240599999 | C=Cc1ccc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)cc1 | | InChI=1S/C27H30O5/c1-3-20-12-14-21(15-13-20)18-31-24-16-22-9-5-4-6-10-23(28)11-7-8-19(2)32-27(30)26(22)25(29)17-24/h3,5,9,12-17,19,29H,1,4,6-8,10-11,18H2,2H3/t19-/m0/s1 | 3 | |
| 64 | 34 | 32 | | | 476.1157292919999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc(Cl)cc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H26Cl2O5/c1-16-6-5-9-20(28)8-4-2-3-7-17-12-21(14-23(29)24(17)25(30)32-16)31-15-18-10-11-19(26)13-22(18)27/h3,7,10-14,16,29H,2,4-6,8-9,15H2,1H3/t16-/m0/s1 | 3 | |
| 65 | 33 | 31 | | | 442.15470164399994 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc(Cl)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-10-12-20(26)13-11-18/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/t17-/m0/s1 | 3 | |
| 66 | 33 | 31 | | | 486.104186064 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3Br)cc(O)c2C(=O)O1 | | InChI=1S/C25H27BrO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/t17-/m0/s1 | 3 | |
| 67 | 36 | 34 | | | 464.2562742519999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc(C(C)(C)C)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C29H36O5/c1-20-9-8-12-24(30)11-7-5-6-10-22-17-25(18-26(31)27(22)28(32)34-20)33-19-21-13-15-23(16-14-21)29(2,3)4/h6,10,13-18,20,31H,5,7-9,11-12,19H2,1-4H3/t20-/m0/s1 | 3 | |
| 68 | 34 | 32 | | | 476.1157292919999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3c(Cl)cccc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H26Cl2O5/c1-16-7-5-10-18(28)9-4-2-3-8-17-13-19(14-23(29)24(17)25(30)32-16)31-15-20-21(26)11-6-12-22(20)27/h3,6,8,11-14,16,29H,2,4-5,7,9-10,15H2,1H3/t16-/m0/s1 | 3 | |
| 69 | 35 | 33 | | | 453.1787522039999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27NO7/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)33-17)32-16-18-10-12-20(13-11-18)26(30)31/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/t17-/m0/s1 | 3 | |
| 70 | 33 | 31 | | | 486.104186064 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc(Br)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27BrO5/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-10-12-20(26)13-11-18/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/t17-/m0/s1 | 3 | |
| 71 | 33 | 31 | | | 442.15470164399994 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/t17-/m0/s1 | 3 | |
| 72 | 34 | 32 | | | 436.2249741239999 | Cc1cc(C)cc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)c1 | | InChI=1S/C27H32O5/c1-18-12-19(2)14-21(13-18)17-31-24-15-22-9-5-4-6-10-23(28)11-7-8-20(3)32-27(30)26(22)25(29)16-24/h5,9,12-16,20,29H,4,6-8,10-11,17H2,1-3H3/t20-/m0/s1 | 3 | |
| 73 | 38 | 35 | | | 472.2249741239999 | Cc1ccc2ccccc2c1COc1cc(O)c2c(c1)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C30H32O5/c1-20-15-16-22-10-6-7-14-26(22)27(20)19-34-25-17-23-11-4-3-5-12-24(31)13-8-9-21(2)35-30(33)29(23)28(32)18-25/h4,6-7,10-11,14-18,21,32H,3,5,8-9,12-13,19H2,1-2H3/t21-/m0/s1 | 4 | |
| 74 | 25 | 24 | | | 336.1936739959999 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@H](O)CCCCC2 | | InChI=1S/C19H28O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h11-13,15,20-21H,3-10H2,1-2H3/t13-,15+/m0/s1 | 2 | |
| 75 | 37 | 34 | | | 458.2093240599999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc4ccccc4c3)cc(O)c2C(=O)O1 | | InChI=1S/C29H30O5/c1-20-8-7-13-25(30)12-4-2-3-11-24-17-26(18-27(31)28(24)29(32)34-20)33-19-21-14-15-22-9-5-6-10-23(22)16-21/h3,5-6,9-11,14-18,20,31H,2,4,7-8,12-13,19H2,1H3/t20-/m0/s1 | 4 | |
| 76 | 38 | 36 | | | 497.2413524599999 | COc1ccc(NC(=O)COc2cc(OC)cc3c2C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C28H35NO7/c1-19-8-7-11-22(30)10-6-4-5-9-20-16-24(34-3)17-25(27(20)28(32)36-19)35-18-26(31)29-21-12-14-23(33-2)15-13-21/h12-17,19H,4-11,18H2,1-3H3,(H,29,31)/t19-/m0/s1 | 3 | |
| 77 | 38 | 36 | | | 497.2413524599999 | COc1ccc(NC(=O)COc2cc3c(c(OC)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C28H35NO7/c1-19-8-7-11-22(30)10-6-4-5-9-20-16-24(17-25(34-3)27(20)28(32)36-19)35-18-26(31)29-21-12-14-23(33-2)15-13-21/h12-17,19H,4-11,18H2,1-3H3,(H,29,31)/t19-/m0/s1 | 3 | |
| 78 | 35 | 33 | | | 451.272258664 | COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(NCCc1ccccc1)CCCC=C2 | | InChI=1S/C28H37NO4/c1-21-11-10-16-24(29-18-17-22-12-6-4-7-13-22)15-9-5-8-14-23-19-25(31-2)20-26(32-3)27(23)28(30)33-21/h4,6-8,12-14,19-21,24,29H,5,9-11,15-18H2,1-3H3/t21-,24?/m0/s1 | 3 | |
| 79 | 37 | 35 | | | 501.1918154239999 | COc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C27H32ClNO6/c1-18-9-8-12-20(30)11-5-3-4-10-19-15-21(16-24(33-2)26(19)27(32)35-18)34-17-25(31)29-23-14-7-6-13-22(23)28/h6-7,13-16,18H,3-5,8-12,17H2,1-2H3,(H,29,31)/t18-/m0/s1 | 3 | |
| 80 | 25 | 24 | | | 334.1780239319999 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C19H26O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h11-13,21H,3-10H2,1-2H3/t13-/m0/s1 | 2 | |
| 81 | 32 | 31 | | | 433.24643783999994 | COc1cc2c(c(OCC(=O)NC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C24H35NO6/c1-16(2)25-22(27)15-30-21-14-20(29-4)13-18-10-6-5-7-11-19(26)12-8-9-17(3)31-24(28)23(18)21/h13-14,16-17H,5-12,15H2,1-4H3,(H,25,27)/t17-/m0/s1 | 2 | |
| 82 | 37 | 35 | | | 485.2213659639999 | COc1cc2c(c(OCC(=O)Nc3cccc(F)c3)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C27H32FNO6/c1-18-8-6-13-22(30)12-5-3-4-9-19-14-23(33-2)16-24(26(19)27(32)35-18)34-17-25(31)29-21-11-7-10-20(28)15-21/h7,10-11,14-16,18H,3-6,8-9,12-13,17H2,1-2H3,(H,29,31)/t18-/m0/s1 | 3 | |
| 83 | 32 | 31 | | | 433.24643783999994 | COc1cc(OCC(=O)NC(C)C)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C24H35NO6/c1-16(2)25-22(27)15-30-20-13-18-10-6-5-7-11-19(26)12-8-9-17(3)31-24(28)23(18)21(14-20)29-4/h13-14,16-17H,5-12,15H2,1-4H3,(H,25,27)/t17-/m0/s1 | 2 | |
| 84 | 41 | 38 | | | 525.2362670799998 | COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(17-26(34-2)28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1 | 4 | |
| 85 | 41 | 38 | | | 525.2362670799998 | COc1cc2c(c(OCC(=O)Nc3ccc4c(c3)OCCO4)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(34-2)17-26(28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1 | 4 | |
| 86 | 53 | 51 | | | 733.4612412039999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | |
| 87 | 61 | 59 | | | 735.4405057600001 | [H]C1(O)[C@@]([H])(C)C(=O)[C@]([H])(C)C[C@@](C)(O)[C@]([H])(OC2OC(C)CC(N(C)C)C2O)[C@@]([H])(C)[C@]([H])(OC2OC(O)CC(C)(OC)C2O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@@]1(C)O | | InChI=1S/C36H65NO14/c1-13-23-36(9,45)28(41)19(4)25(39)17(2)15-34(7,44)30(51-32-26(40)22(37(10)11)14-18(3)47-32)20(5)27(21(6)31(43)48-23)50-33-29(42)35(8,46-12)16-24(38)49-33/h17-24,26-30,32-33,38,40-42,44-45H,13-16H2,1-12H3/t17-,18?,19+,20+,21-,22?,23-,24?,26?,27+,28?,29?,30-,32?,33?,34-,35?,36-/m1/s1 | 3 | |
| 88 | 54 | 52 | | | 747.4768912679999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | |
| 89 | 24 | 23 | | | 322.178023932 | CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3 | 2 | |
| 90 | 24 | 23 | | | 320.162373868 | CC1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3 | 2 | |
| 91 | 54 | 52 | | | 747.4768912679999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 | 3 | |
| 92 | 26 | 25 | | | 347.1732729 | COc1cc(O)c2c(c1)C=CCCCC(=NO)CCC[C@H](C)OC2=O | | InChI=1S/C19H25NO5/c1-13-7-6-10-15(20-23)9-5-3-4-8-14-11-16(24-2)12-17(21)18(14)19(22)25-13/h4,8,11-13,21,23H,3,5-7,9-10H2,1-2H3/t13-/m0/s1 | 2 | |
| 93 | 61 | 58 | | | 834.545305176 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O | | InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3 | 4 | |
| 94 | 60 | 58 | | | 836.5245697319999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3 | 3 | |
| 95 | 16 | 16 | | | 226.193280072 | CC1CCCCCCCCCCCOC1=O | | InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-16-14(13)15/h13H,2-12H2,1H3 | 1 | |
| 96 | 15 | 15 | | | 212.177630008 | O=C1CCCCCCCCCCCCO1 | | InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2 | 1 | |
| 97 | 54 | 52 | | | 748.4721402359999 | CCC1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)/C(=N/O)C(C)[C@@H](O)[C@@]1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27-/t18-,19?,20?,21?,22+,23?,24?,25?,26?,28?,29+,30+,31?,32-,34?,35-,36?,37-/m0/s1 | 3 | |
| 98 | 48 | 45 | | | 614.251582796 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3/b9-5+/t24-/m0/s1 | 4 | |
| 99 | 44 | 41 | | | 634.0847347800001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1 | 4 | |
| 100 | 44 | 41 | | | 634.08473478 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1 | 4 | |
| 101 | 34 | 32 | | | 436.188588616 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C26H28O6/c1-18-9-8-14-21(27)13-7-3-6-12-20-15-22(16-23(28)25(20)26(30)32-18)31-17-24(29)19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,28H,3,7-9,13-14,17H2,1H3/b12-6+/t18-/m0/s1 | 3 | |
| 102 | 35 | 33 | | | 456.17841785599995 | COC(=O)c1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)o1 | | InChI=1S/C25H28O8/c1-16-7-6-10-18(26)9-5-3-4-8-17-13-20(14-21(27)23(17)25(29)32-16)31-15-19-11-12-22(33-19)24(28)30-2/h4,8,11-14,16,27H,3,5-7,9-10,15H2,1-2H3/b8-4+/t16-/m0/s1 | 3 | |
| 103 | 44 | 41 | | | 602.14383586 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3/b9-3+/t20-/m0/s1 | 4 | |
| 104 | 26 | 25 | | | 347.17327290000003 | COc1cc(O)c2c(c1)/C=C/CCC/C(=N/O)CCC[C@H](C)OC2=O | | InChI=1S/C19H25NO5/c1-13-7-6-10-15(20-23)9-5-3-4-8-14-11-16(24-2)12-17(21)18(14)19(22)25-13/h4,8,11-13,21,23H,3,5-7,9-10H2,1-2H3/b8-4+,20-15-/t13-/m0/s1 | 2 | |
| 105 | 61 | 58 | | | 834.5453051759999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C2NC(COCCOC)OC(C2C)C1(C)O | | InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3 | 4 | |
| 106 | 40 | 37 | | | 498.240624188 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2C(=O)O1 | | InChI=1S/C32H34O5/c1-24-12-11-19-28(33)18-10-4-9-17-27-20-29(35-22-25-13-5-2-6-14-25)21-30(31(27)32(34)37-24)36-23-26-15-7-3-8-16-26/h2-3,5-9,13-17,20-21,24H,4,10-12,18-19,22-23H2,1H3/b17-9+/t24-/m0/s1 | 4 | |
| 107 | 60 | 58 | | | 836.5245697319998 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)/C(=N\OCOCCOC)C(C)C(O)C1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+ | 3 | |
| 108 | 17 | 17 | | | 241.167793596 | O=C1CCCCCCCC/C(=N\O)CCCO1 | | InChI=1S/C13H23NO3/c15-13-10-6-4-2-1-3-5-8-12(14-16)9-7-11-17-13/h16H,1-11H2/b14-12+ | 1 | |
| 109 | 54 | 51 | | | 731.481976648 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)CC2(C)OC1(C)C2O | | InChI=1S/C38H69NO12/c1-15-26-38(10)34(43)37(9,51-38)18-20(2)17-36(8,45-14)31(50-33-28(40)25(39(11)12)16-21(3)46-33)22(4)29(23(5)32(42)48-26)49-27-19-35(7,44-13)30(41)24(6)47-27/h20-31,33-34,40-41,43H,15-19H2,1-14H3 | 5 | |
| 110 | 36 | 33 | | | 448.188588616 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccccc1)CC(=O)O3 | | InChI=1S/C27H28O6/c1-17-9-8-14-20(28)13-7-3-6-12-19-15-22-25(26(30)24(19)27(31)32-17)21(16-23(29)33-22)18-10-4-2-5-11-18/h2,4-6,10-12,15,17,21,30H,3,7-9,13-14,16H2,1H3/b12-6+ | 4 | |
| 111 | 54 | 51 | | | 730.4615755519999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)CC(C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2 | | InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/b38-32-/t18?,19-,20+,21-,22-,23-,24+,25-,26?,27-,28+,29-,30-,31-,34?,35+,36-,37-/m1/s1 | 4 | |
| 112 | 33 | 31 | | | 423.240958536 | C[C@H]1CCCC(NCCc2ccccc2)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C26H33NO4/c1-19-9-8-14-22(27-16-15-20-10-4-2-5-11-20)13-7-3-6-12-21-17-23(28)18-24(29)25(21)26(30)31-19/h2,4-6,10-12,17-19,22,27-29H,3,7-9,13-16H2,1H3/b12-6+/t19-,22?/m0/s1 | 3 | |
| 113 | 27 | 26 | | | 363.204573028 | COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC/C(=N/O)CCCCC2 | | InChI=1S/C20H29NO5/c1-14-8-7-11-16(21-23)10-6-4-5-9-15-12-17(24-2)13-18(25-3)19(15)20(22)26-14/h12-14,23H,4-11H2,1-3H3/b21-16+/t14-/m0/s1 | 2 | |
| 114 | 42 | 39 | | | 526.1991533 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c2C(=O)O1 | | InChI=1S/C32H30O7/c1-22-12-11-19-26(33)18-10-4-9-17-25-20-27(38-30(34)23-13-5-2-6-14-23)21-28(29(25)32(36)37-22)39-31(35)24-15-7-3-8-16-24/h2-3,5-9,13-17,20-22H,4,10-12,18-19H2,1H3/b17-9+/t22-/m0/s1 | 4 | |
| 115 | 25 | 24 | | | 336.19367399600003 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@@H](O)CCCCC2 | | InChI=1S/C19H28O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h11-13,15,20-21H,3-10H2,1-2H3/t13-,15-/m0/s1 | 2 | |
| 116 | 32 | 30 | | | 408.19367399600003 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H28O5/c1-18-9-8-14-21(26)13-7-3-6-12-20-15-22(16-23(27)24(20)25(28)30-18)29-17-19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,27H,3,7-9,13-14,17H2,1H3/b12-6+/t18-/m0/s1 | 3 | |
| 117 | 46 | 42 | | | 578.2992016839999 | COc1cc(OCC(O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C33H42N2O7/c1-22-8-6-11-26(36)10-5-3-4-9-24-15-28(16-30(40-2)32(24)33(39)42-22)41-21-27(37)20-34-17-23-14-25(19-34)29-12-7-13-31(38)35(29)18-23/h4,7,9,12-13,15-16,22-23,25,27,37H,3,5-6,8,10-11,14,17-21H2,1-2H3/b9-4+/t22-,23-,25+,27?/m0/s1 | 5 | |
| 118 | 30 | 28 | | | 388.188588616 | COc1cc(OCC2CO2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C22H28O6/c1-15-7-6-10-17(23)9-5-3-4-8-16-11-18(26-13-19-14-27-19)12-20(25-2)21(16)22(24)28-15/h4,8,11-12,15,19H,3,5-7,9-10,13-14H2,1-2H3/b8-4+/t15-,19?/m0/s1 | 3 | |
| 119 | 35 | 33 | | | 453.17875220400003 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27NO7/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)33-17)32-16-18-10-12-20(13-11-18)26(30)31/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/b7-3+/t17-/m1/s1 | 3 | |
| 120 | 33 | 32 | | | 447.262087904 | COc1cc2c(c(OCC(O)CNC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C25H37NO6/c1-17(2)26-15-21(28)16-31-23-14-22(30-4)13-19-10-6-5-7-11-20(27)12-8-9-18(3)32-25(29)24(19)23/h6,10,13-14,17-18,21,26,28H,5,7-9,11-12,15-16H2,1-4H3/b10-6+/t18-,21?/m0/s1 | 2 | |
| 121 | 25 | 24 | | | 334.17802393200003 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C19H26O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h11-13,21H,3-10H2,1-2H3/t13-/m0/s1 | 2 | |
| 122 | 32 | 31 | | | 433.24643784000006 | COc1cc(OCC(=O)NC(C)C)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C24H35NO6/c1-16(2)25-22(27)15-30-20-13-18-10-6-5-7-11-19(26)12-8-9-17(3)31-24(28)23(18)21(14-20)29-4/h13-14,16-17H,5-12,15H2,1-4H3,(H,25,27)/t17-/m0/s1 | 2 | |
| 123 | 37 | 35 | | | 485.221365964 | COc1cc2c(c(OCC(=O)Nc3cccc(F)c3)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C27H32FNO6/c1-18-8-6-13-22(30)12-5-3-4-9-19-14-23(33-2)16-24(26(19)27(32)35-18)34-17-25(31)29-21-11-7-10-20(28)15-21/h7,10-11,14-16,18H,3-6,8-9,12-13,17H2,1-2H3,(H,29,31)/t18-/m0/s1 | 3 | |
| 124 | 38 | 36 | | | 497.24135246000003 | COc1ccc(NC(=O)COc2cc3c(c(OC)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C28H35NO7/c1-19-8-7-11-22(30)10-6-4-5-9-20-16-24(17-25(34-3)27(20)28(32)36-19)35-18-26(31)29-21-12-14-23(33-2)15-13-21/h12-17,19H,4-11,18H2,1-3H3,(H,29,31)/t19-/m0/s1 | 3 | |
| 125 | 41 | 38 | | | 525.23626708 | COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(17-26(34-2)28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1 | 4 | |
| 126 | 41 | 38 | | | 525.23626708 | COc1cc2c(c(OCC(=O)Nc3ccc4c(c3)OCCO4)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(34-2)17-26(28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1 | 4 | |
| 127 | 32 | 31 | | | 433.24643784000006 | COc1cc2c(c(OCC(=O)NC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C24H35NO6/c1-16(2)25-22(27)15-30-21-14-20(29-4)13-18-10-6-5-7-11-19(26)12-8-9-17(3)31-24(28)23(18)21/h13-14,16-17H,5-12,15H2,1-4H3,(H,25,27)/t17-/m0/s1 | 2 | |
| 128 | 38 | 36 | | | 497.24135246 | COc1ccc(NC(=O)COc2cc(OC)cc3c2C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C28H35NO7/c1-19-8-7-11-22(30)10-6-4-5-9-20-16-24(34-3)17-25(27(20)28(32)36-19)35-18-26(31)29-21-12-14-23(33-2)15-13-21/h12-17,19H,4-11,18H2,1-3H3,(H,29,31)/t19-/m0/s1 | 3 | |
| 129 | 37 | 35 | | | 501.191815424 | COc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C27H32ClNO6/c1-18-9-8-12-20(30)11-5-3-4-10-19-15-21(16-24(33-2)26(19)27(32)35-18)34-17-25(31)29-23-14-7-6-13-22(23)28/h6-7,13-16,18H,3-5,8-12,17H2,1-2H3,(H,29,31)/t18-/m0/s1 | 3 | |
| 130 | 36 | 34 | | | 464.256274252 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(C(C)(C)C)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C29H36O5/c1-20-9-8-12-24(30)11-7-5-6-10-22-17-25(18-26(31)27(22)28(32)34-20)33-19-21-13-15-23(16-14-21)29(2,3)4/h6,10,13-18,20,31H,5,7-9,11-12,19H2,1-4H3/b10-6+/t20-/m0/s1 | 3 | |
| 131 | 34 | 32 | | | 436.22497412399997 | Cc1ccc(C)c(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c1 | | InChI=1S/C27H32O5/c1-18-12-13-19(2)22(14-18)17-31-24-15-21-9-5-4-6-10-23(28)11-7-8-20(3)32-27(30)26(21)25(29)16-24/h5,9,12-16,20,29H,4,6-8,10-11,17H2,1-3H3/b9-5+/t20-/m0/s1 | 3 | |
| 132 | 33 | 31 | | | 442.15470164400006 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3cccc(Cl)c3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-7-5-12-21(27)11-4-2-3-9-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-8-6-10-20(26)13-18/h3,6,8-10,13-15,17,28H,2,4-5,7,11-12,16H2,1H3/b9-3+/t17-/m0/s1 | 3 | |
| 133 | 37 | 35 | | | 478.27192431599997 | Cc1c(C)c(C)c(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c(C)c1C | | InChI=1S/C30H38O5/c1-18-11-10-14-25(31)13-9-7-8-12-24-15-26(16-28(32)29(24)30(33)35-18)34-17-27-22(5)20(3)19(2)21(4)23(27)6/h8,12,15-16,18,32H,7,9-11,13-14,17H2,1-6H3/b12-8+/t18-/m0/s1 | 3 | |
| 134 | 33 | 31 | | | 486.10418606400003 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3Br)cc(O)c2C(=O)O1 | | InChI=1S/C25H27BrO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/b9-3+/t17-/m0/s1 | 3 | |
| 135 | 33 | 31 | | | 426.18425218400006 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3F)cc(O)c2C(=O)O1 | | InChI=1S/C25H27FO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/b9-3+/t17-/m0/s1 | 3 | |
| 136 | 33 | 31 | | | 442.154701644 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-10-12-20(26)13-11-18/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/b7-3+/t17-/m0/s1 | 3 | |
| 137 | 43 | 40 | | | 551.288302652 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OCC(O)CN3CCOCC3)c2C(=O)O1 | | InChI=1S/C32H41NO7/c1-24-9-8-14-27(34)13-7-3-6-12-26-19-29(38-22-25-10-4-2-5-11-25)20-30(31(26)32(36)40-24)39-23-28(35)21-33-15-17-37-18-16-33/h2,4-6,10-12,19-20,24,28,35H,3,7-9,13-18,21-23H2,1H3/b12-6+/t24-,28?/m0/s1 | 4 | |
| 138 | 32 | 30 | | | 410.20932406000003 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H30O5/c1-18-9-8-14-21(26)13-7-3-6-12-20-15-22(16-23(27)24(20)25(28)30-18)29-17-19-10-4-2-5-11-19/h2,4-5,10-11,15-16,18,27H,3,6-9,12-14,17H2,1H3/t18-/m0/s1 | 3 | |
| 139 | 36 | 34 | | | 466.1991533 | COC(=O)c1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@@H](C)OC3=O)cc1 | | InChI=1S/C27H30O7/c1-18-7-6-10-22(28)9-5-3-4-8-21-15-23(16-24(29)25(21)27(31)34-18)33-17-19-11-13-20(14-12-19)26(30)32-2/h4,8,11-16,18,29H,3,5-7,9-10,17H2,1-2H3/b8-4+/t18-/m1/s1 | 3 | |
| 140 | 34 | 32 | | | 476.115729292 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3c(Cl)cccc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H26Cl2O5/c1-16-7-5-10-18(28)9-4-2-3-8-17-13-19(14-23(29)24(17)25(30)32-16)31-15-20-21(26)11-6-12-22(20)27/h3,6,8,11-14,16,29H,2,4-5,7,9-10,15H2,1H3/b8-3+/t16-/m1/s1 | 3 | |
| 141 | 34 | 32 | | | 436.224974124 | Cc1cc(C)cc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@@H](C)OC3=O)c1 | | InChI=1S/C27H32O5/c1-18-12-19(2)14-21(13-18)17-31-24-15-22-9-5-4-6-10-23(28)11-7-8-20(3)32-27(30)26(22)25(29)16-24/h5,9,12-16,20,29H,4,6-8,10-11,17H2,1-3H3/b9-5+/t20-/m1/s1 | 3 | |
| 142 | 37 | 34 | | | 464.219888744 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OCC3CO3)c2C(=O)O1 | | InChI=1S/C28H32O6/c1-20-9-8-14-23(29)13-7-3-6-12-22-15-24(31-17-21-10-4-2-5-11-21)16-26(27(22)28(30)34-20)33-19-25-18-32-25/h2,4-6,10-12,15-16,20,25H,3,7-9,13-14,17-19H2,1H3/b12-6+/t20-,25?/m0/s1 | 4 | |
| 143 | 38 | 35 | | | 472.22497412399997 | Cc1ccc2ccccc2c1COc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@@H](C)OC2=O | | InChI=1S/C30H32O5/c1-20-15-16-22-10-6-7-14-26(22)27(20)19-34-25-17-23-11-4-3-5-12-24(31)13-8-9-21(2)35-30(33)29(23)28(32)18-25/h4,6-7,10-11,14-18,21,32H,3,5,8-9,12-13,19H2,1-2H3/b11-4+/t21-/m1/s1 | 4 | |
| 144 | 37 | 34 | | | 458.20932406000003 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc4ccccc4c3)cc(O)c2C(=O)O1 | | InChI=1S/C29H30O5/c1-20-8-7-13-25(30)12-4-2-3-11-24-17-26(18-27(31)28(24)29(32)34-20)33-19-21-14-15-22-9-5-6-10-23(22)16-21/h3,5-6,9-11,14-18,20,31H,2,4,7-8,12-13,19H2,1H3/b11-3+/t20-/m1/s1 | 4 | |
| 145 | 34 | 32 | | | 476.11572929199997 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H26Cl2O5/c1-16-6-5-9-20(28)8-4-2-3-7-17-12-21(14-23(29)24(17)25(30)32-16)31-15-18-10-11-19(26)13-22(18)27/h3,7,10-14,16,29H,2,4-6,8-9,15H2,1H3/b7-3+/t16-/m0/s1 | 3 | |
| 146 | 33 | 31 | | | 442.154701644 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/b9-3+/t17-/m1/s1 | 3 | |
| 147 | 34 | 32 | | | 434.20932406000003 | C=Cc1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)cc1 | | InChI=1S/C27H30O5/c1-3-20-12-14-21(15-13-20)18-31-24-16-22-9-5-4-6-10-23(28)11-7-8-19(2)32-27(30)26(22)25(29)17-24/h3,5,9,12-17,19,29H,1,4,6-8,10-11,18H2,2H3/b9-5+/t19-/m0/s1 | 3 | |
| 148 | 33 | 31 | | | 422.20932406000003 | Cc1ccccc1COc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C26H30O5/c1-18-9-6-7-12-21(18)17-30-23-15-20-11-4-3-5-13-22(27)14-8-10-19(2)31-26(29)25(20)24(28)16-23/h4,6-7,9,11-12,15-16,19,28H,3,5,8,10,13-14,17H2,1-2H3/b11-4+/t19-/m0/s1 | 3 | |
| 149 | 36 | 34 | | | 476.181058624 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3cccc(C(F)(F)F)c3)cc(O)c2C(=O)O1 | | InChI=1S/C26H27F3O5/c1-17-7-5-12-21(30)11-4-2-3-9-19-14-22(15-23(31)24(19)25(32)34-17)33-16-18-8-6-10-20(13-18)26(27,28)29/h3,6,8-10,13-15,17,31H,2,4-5,7,11-12,16H2,1H3/b9-3+/t17-/m0/s1 | 3 | |
| 150 | 35 | 33 | | | 451.272258664 | COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(NCCc1ccccc1)CCC/C=C/2 | | InChI=1S/C28H37NO4/c1-21-11-10-16-24(29-18-17-22-12-6-4-7-13-22)15-9-5-8-14-23-19-25(31-2)20-26(32-3)27(23)28(30)33-21/h4,6-8,12-14,19-21,24,29H,5,9-11,15-18H2,1-3H3/b14-8+/t21-,24?/m0/s1 | 3 | |
| 151 | 34 | 32 | | | 504.09476425199995 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Br)cc3F)cc(O)c2C(=O)O1 | | InChI=1S/C25H26BrFO5/c1-16-6-5-9-20(28)8-4-2-3-7-17-12-21(14-23(29)24(17)25(30)32-16)31-15-18-10-11-19(26)13-22(18)27/h3,7,10-14,16,29H,2,4-6,8-9,15H2,1H3/b7-3+/t16-/m1/s1 | 3 | |
| 152 | 33 | 31 | | | 422.20932406000003 | Cc1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)cc1 | | InChI=1S/C26H30O5/c1-18-11-13-20(14-12-18)17-30-23-15-21-8-4-3-5-9-22(27)10-6-7-19(2)31-26(29)25(21)24(28)16-23/h4,8,11-16,19,28H,3,5-7,9-10,17H2,1-2H3/b8-4+/t19-/m0/s1 | 3 | |
| 153 | 33 | 31 | | | 486.10418606400003 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Br)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27BrO5/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-10-12-20(26)13-11-18/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/b7-3+/t17-/m1/s1 | 3 | |
| 154 | 43 | 40 | | | 552.2359327319999 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC | | InChI=1S/C31H36O9/c1-18-10-9-13-21(32)12-8-6-7-11-19-14-23-28(30(38-5)27(19)31(34)39-18)22(17-26(33)40-23)20-15-24(35-2)29(37-4)25(16-20)36-3/h7,11,14-16,18,22H,6,8-10,12-13,17H2,1-5H3/b11-7+/t18-,22?/m0/s1 | 4 | |
| 155 | 39 | 36 | | | 494.1940679199999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1O | | InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-22(34-2)21(30)13-17/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3/b8-4+ | 4 | |
| 156 | 37 | 34 | | | 464.183503236 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cccc(O)c1)CC(=O)O3 | | InChI=1S/C27H28O7/c1-16-7-5-11-19(28)10-4-2-3-8-18-14-22-25(26(31)24(18)27(32)33-16)21(15-23(30)34-22)17-9-6-12-20(29)13-17/h3,6,8-9,12-14,16,21,29,31H,2,4-5,7,10-11,15H2,1H3/b8-3+ | 4 | |
| 157 | 39 | 36 | | | 492.214803364 | COc1ccccc1C1CC(=O)Oc2cc3c(c(OC)c21)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3 | | InChI=1S/C29H32O7/c1-18-10-9-13-20(30)12-6-4-5-11-19-16-24-27(28(34-3)26(19)29(32)35-18)22(17-25(31)36-24)21-14-7-8-15-23(21)33-2/h5,7-8,11,14-16,18,22H,4,6,9-10,12-13,17H2,1-3H3/b11-5+/t18-,22?/m0/s1 | 4 | |
| 158 | 43 | 39 | | | 528.214803364 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c2ccccc12 | | InChI=1S/C32H32O7/c1-19-9-8-12-21(33)11-5-3-4-10-20-17-27-30(31(35)29(20)32(36)38-19)25(18-28(34)39-27)23-15-16-26(37-2)24-14-7-6-13-22(23)24/h4,6-7,10,13-17,19,25,35H,3,5,8-9,11-12,18H2,1-2H3/b10-4+ | 5 | |
| 159 | 40 | 37 | | | 506.19406791999995 | COC(=O)c1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C29H30O8/c1-17-7-6-10-21(30)9-5-3-4-8-20-15-23-26(27(32)25(20)29(34)36-17)22(16-24(31)37-23)18-11-13-19(14-12-18)28(33)35-2/h4,8,11-15,17,22,32H,3,5-7,9-10,16H2,1-2H3/b8-4+ | 4 | |
| 160 | 43 | 40 | | | 550.256668176 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-26-15-21(13-14-25(26)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,19-20,24,35H,5,7-9,11-12,17-18H2,1-4H3/b10-6+ | 4 | |
| 161 | 42 | 39 | | | 536.241018112 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-30-22(14-9-15-24(30)36-4)23-17-26(33)39-25-16-20-11-6-5-7-12-21(32)13-8-10-19(3)38-31(35)27(20)29(34)28(23)25/h6,9,11,14-16,18-19,23,34H,5,7-8,10,12-13,17H2,1-4H3/b11-6+ | 4 | |
| 162 | 41 | 38 | | | 522.225368048 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC | | InChI=1S/C30H34O8/c1-18-9-8-12-21(31)11-7-5-6-10-20-16-25-28(29(36-4)27(20)30(33)37-18)22(17-26(32)38-25)19-13-14-23(34-2)24(15-19)35-3/h6,10,13-16,18,22H,5,7-9,11-12,17H2,1-4H3/b10-6+/t18-,22?/m0/s1 | 4 | |
| 163 | 37 | 34 | | | 462.20423868 | COc1c2c(cc3c1C(c1ccccc1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C28H30O6/c1-18-10-9-15-21(29)14-8-4-7-13-20-16-23-26(27(32-2)25(20)28(31)33-18)22(17-24(30)34-23)19-11-5-3-6-12-19/h3,5-7,11-13,16,18,22H,4,8-10,14-15,17H2,1-2H3/b13-7+/t18-,22?/m0/s1 | 4 | |
| 164 | 35 | 32 | | | 454.1450095519999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccsc1)CC(=O)O3 | | InChI=1S/C25H26O6S/c1-15-6-5-9-18(26)8-4-2-3-7-16-12-20-23(24(28)22(16)25(29)30-15)19(13-21(27)31-20)17-10-11-32-14-17/h3,7,10-12,14-15,19,28H,2,4-6,8-9,13H2,1H3/b7-3+ | 4 | |
| 165 | 43 | 40 | | | 550.256668176 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC(C)C | | InChI=1S/C32H38O8/c1-19(2)38-26-16-21(14-15-25(26)36-4)24-18-28(34)40-27-17-22-11-7-6-8-12-23(33)13-9-10-20(3)39-32(35)29(22)31(37-5)30(24)27/h7,11,14-17,19-20,24H,6,8-10,12-13,18H2,1-5H3/b11-7+/t20-,24?/m0/s1 | 4 | |
| 166 | 42 | 39 | | | 538.2202826679999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC | | InChI=1S/C30H34O9/c1-17-9-8-12-20(31)11-7-5-6-10-18-13-22-27(28(33)26(18)30(34)38-17)21(16-25(32)39-22)19-14-23(35-2)29(37-4)24(15-19)36-3/h6,10,13-15,17,21,33H,5,7-9,11-12,16H2,1-4H3/b10-6+ | 4 | |
| 167 | 41 | 38 | | | 520.246103492 | COc1c2c(cc3c1C(c1ccc(OC(C)C)cc1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H36O7/c1-19(2)36-24-15-13-21(14-16-24)25-18-27(33)38-26-17-22-10-6-5-7-11-23(32)12-8-9-20(3)37-31(34)28(22)30(35-4)29(25)26/h6,10,13-17,19-20,25H,5,7-9,11-12,18H2,1-4H3/b10-6+/t20-,25?/m0/s1 | 4 | |
| 168 | 42 | 38 | | | 520.2097179839999 | COc1c2c(cc3c1C(c1ccc4c(c1)OCCO4)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C30H32O8/c1-18-7-6-10-21(31)9-5-3-4-8-20-16-25-28(29(34-2)27(20)30(33)37-18)22(17-26(32)38-25)19-11-12-23-24(15-19)36-14-13-35-23/h4,8,11-12,15-16,18,22H,3,5-7,9-10,13-14,17H2,1-2H3/b8-4+/t18-,22?/m0/s1 | 5 | |
| 169 | 43 | 40 | | | 550.256668176 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1OC(C)C | | InChI=1S/C32H38O8/c1-19(2)38-25-15-14-21(16-26(25)36-4)24-18-28(34)40-27-17-22-11-7-6-8-12-23(33)13-9-10-20(3)39-32(35)29(22)31(37-5)30(24)27/h7,11,14-17,19-20,24H,6,8-10,12-13,18H2,1-5H3/b11-7+/t20-,24?/m0/s1 | 4 | |
| 170 | 41 | 37 | | | 498.20423868 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cccc2ccccc12)CC(=O)O3 | | InChI=1S/C31H30O6/c1-19-9-7-14-22(32)13-4-2-3-11-21-17-26-29(30(34)28(21)31(35)36-19)25(18-27(33)37-26)24-16-8-12-20-10-5-6-15-23(20)24/h3,5-6,8,10-12,15-17,19,25,34H,2,4,7,9,13-14,18H2,1H3/b11-3+ | 5 | |
| 171 | 40 | 37 | | | 508.2097179839999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c(OC)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-19(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)22(16-25(31)37-24)21-13-12-20(34-2)15-23(21)35-3/h5,9,12-15,17,22,32H,4,6-8,10-11,16H2,1-3H3/b9-5+ | 4 | |
| 172 | 38 | 35 | | | 494.17630968 | CSc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C28H30O6S/c1-17-7-6-10-20(29)9-5-3-4-8-19-15-23-26(27(31)25(19)28(32)33-17)22(16-24(30)34-23)18-11-13-21(35-2)14-12-18/h4,8,11-15,17,22,31H,3,5-7,9-10,16H2,1-2H3/b8-4+ | 4 | |
| 173 | 43 | 40 | | | 548.2410181119999 | C=C(C)COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OC | | InChI=1S/C32H36O8/c1-19(2)18-38-25-14-13-21(15-26(25)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,20,24,35H,1,5,7-9,11-12,17-18H2,2-4H3/b10-6+ | 4 | |
| 174 | 38 | 35 | | | 478.1991533 | COc1ccccc1C1CC(=O)Oc2cc3c(c(O)c21)C(=O)OC(C)CCCC(=O)CCC/C=C/3 | | InChI=1S/C28H30O7/c1-17-9-8-12-19(29)11-5-3-4-10-18-15-23-26(27(31)25(18)28(32)34-17)21(16-24(30)35-23)20-13-6-7-14-22(20)33-2/h4,6-7,10,13-15,17,21,31H,3,5,8-9,11-12,16H2,1-2H3/b10-4+ | 4 | |
| 175 | 38 | 35 | | | 478.1991533 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C28H30O7/c1-17-7-6-10-20(29)9-5-3-4-8-19-15-23-26(27(31)25(19)28(32)34-17)22(16-24(30)35-23)18-11-13-21(33-2)14-12-18/h4,8,11-15,17,22,31H,3,5-7,9-10,16H2,1-2H3/b8-4+ | 4 | |
| 176 | 43 | 40 | | | 551.2155316359999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)ccc1OCC(N)=O | | InChI=1S/C30H33NO9/c1-17-7-6-10-20(32)9-5-3-4-8-19-14-24-28(29(35)27(19)30(36)39-17)21(15-26(34)40-24)18-11-12-22(23(13-18)37-2)38-16-25(31)33/h4,8,11-14,17,21,35H,3,5-7,9-10,15-16H2,1-2H3,(H2,31,33)/b8-4+ | 4 | |
| 177 | 41 | 37 | | | 506.19406791999995 | COc1c2c(cc3c1C(c1ccc4c(c1)OCO4)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C29H30O8/c1-17-7-6-10-20(30)9-5-3-4-8-19-14-24-27(28(33-2)26(19)29(32)36-17)21(15-25(31)37-24)18-11-12-22-23(13-18)35-16-34-22/h4,8,11-14,17,21H,3,5-7,9-10,15-16H2,1-2H3/b8-4+/t17-,21?/m0/s1 | 5 | |
| 178 | 44 | 40 | | | 542.2304534279999 | COc1c2c(cc3c1C(c1ccc(OC)c4ccccc14)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C33H34O7/c1-20-10-9-13-22(34)12-6-4-5-11-21-18-28-31(32(38-3)30(21)33(36)39-20)26(19-29(35)40-28)24-16-17-27(37-2)25-15-8-7-14-23(24)25/h5,7-8,11,14-18,20,26H,4,6,9-10,12-13,19H2,1-3H3/b11-5+/t20-,26?/m0/s1 | 5 | |
| 179 | 39 | 36 | | | 490.23553880799994 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(C(C)C)cc1)CC(=O)O3 | | InChI=1S/C30H34O6/c1-18(2)20-12-14-21(15-13-20)24-17-26(32)36-25-16-22-9-5-4-6-10-23(31)11-7-8-19(3)35-30(34)27(22)29(33)28(24)25/h5,9,12-16,18-19,24,33H,4,6-8,10-11,17H2,1-3H3/b9-5+ | 4 | |
| 180 | 43 | 40 | | | 550.256668176 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)ccc1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-25-14-13-21(15-26(25)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,19-20,24,35H,5,7-9,11-12,17-18H2,1-4H3/b10-6+ | 4 | |
| 181 | 44 | 41 | | | 562.256668176 | C=C(C)COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC | | InChI=1S/C33H38O8/c1-20(2)19-39-26-15-14-22(16-27(26)37-4)25-18-29(35)41-28-17-23-11-7-6-8-12-24(34)13-9-10-21(3)40-33(36)30(23)32(38-5)31(25)28/h7,11,14-17,21,25H,1,6,8-10,12-13,18-19H2,2-5H3/b11-7+/t21-,25?/m0/s1 | 4 | |
| 182 | 43 | 39 | | | 536.2046326039999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc2c1OCCO2 | | InChI=1S/C30H32O9/c1-17-7-6-10-20(31)9-5-3-4-8-18-13-22-27(28(33)26(18)30(34)38-17)21(16-25(32)39-22)19-14-23(35-2)29-24(15-19)36-11-12-37-29/h4,8,13-15,17,21,33H,3,5-7,9-12,16H2,1-2H3/b8-4+ | 5 | |
| 183 | 40 | 37 | | | 508.2097179839999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OC | | InChI=1S/C29H32O8/c1-17-8-7-11-20(30)10-6-4-5-9-19-15-24-27(28(32)26(19)29(33)36-17)21(16-25(31)37-24)18-12-13-22(34-2)23(14-18)35-3/h5,9,12-15,17,21,32H,4,6-8,10-11,16H2,1-3H3/b9-5+ | 4 | |
| 184 | 40 | 37 | | | 506.230453428 | CC(C)Oc1ccccc1C1CC(=O)Oc2cc3c(c(O)c21)C(=O)OC(C)CCCC(=O)CCC/C=C/3 | | InChI=1S/C30H34O7/c1-18(2)35-24-15-8-7-14-22(24)23-17-26(32)37-25-16-20-11-5-4-6-12-21(31)13-9-10-19(3)36-30(34)27(20)29(33)28(23)25/h5,7-8,11,14-16,18-19,23,33H,4,6,9-10,12-13,17H2,1-3H3/b11-5+ | 4 | |
| 185 | 41 | 38 | | | 521.204966952 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(OCC(N)=O)cc1)CC(=O)O3 | | InChI=1S/C29H31NO8/c1-17-6-5-9-20(31)8-4-2-3-7-19-14-23-27(28(34)26(19)29(35)37-17)22(15-25(33)38-23)18-10-12-21(13-11-18)36-16-24(30)32/h3,7,10-14,17,22,34H,2,4-6,8-9,15-16H2,1H3,(H2,30,32)/b7-3+ | 4 | |
| 186 | 42 | 39 | | | 536.2410181119999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-25-15-20(13-14-24(25)36-4)23-17-27(33)39-26-16-21-10-6-5-7-11-22(32)12-8-9-19(3)38-31(35)28(21)30(34)29(23)26/h6,10,13-16,18-19,23,34H,5,7-9,11-12,17H2,1-4H3/b10-6+ | 4 | |
| 187 | 41 | 38 | | | 520.209717984 | COC(=O)c1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C30H32O8/c1-18-8-7-11-22(31)10-6-4-5-9-21-16-24-27(28(35-2)26(21)30(34)37-18)23(17-25(32)38-24)19-12-14-20(15-13-19)29(33)36-3/h5,9,12-16,18,23H,4,6-8,10-11,17H2,1-3H3/b9-5+/t18-,23?/m0/s1 | 4 | |
| 188 | 39 | 36 | | | 494.1940679199999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)ccc1O | | InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-21(30)22(13-17)34-2/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3/b8-4+ | 4 | |
| 189 | 43 | 40 | | | 552.2359327319999 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1OC | | InChI=1S/C31H36O9/c1-18-10-9-13-20(32)12-8-6-7-11-19-16-24-27(30(38-5)26(19)31(34)39-18)22(17-25(33)40-24)21-14-15-23(35-2)29(37-4)28(21)36-3/h7,11,14-16,18,22H,6,8-10,12-13,17H2,1-5H3/b11-7+/t18-,22?/m0/s1 | 4 | |
| 190 | 42 | 39 | | | 538.2202826679999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c(OC)c1OC | | InChI=1S/C30H34O9/c1-17-9-8-12-19(31)11-7-5-6-10-18-15-23-26(27(33)25(18)30(34)38-17)21(16-24(32)39-23)20-13-14-22(35-2)29(37-4)28(20)36-3/h6,10,13-15,17,21,33H,5,7-9,11-12,16H2,1-4H3/b10-6+ | 4 | |
| 191 | 41 | 38 | | | 520.246103492 | CC(C)COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C31H36O7/c1-19(2)18-36-24-14-12-21(13-15-24)25-17-27(33)38-26-16-22-9-5-4-6-10-23(32)11-7-8-20(3)37-31(35)28(22)30(34)29(25)26/h5,9,12-16,19-20,25,34H,4,6-8,10-11,17-18H2,1-3H3/b9-5+ | 4 | |
| 192 | 37 | 34 | | | 464.183503236 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(O)cc1)CC(=O)O3 | | InChI=1S/C27H28O7/c1-16-6-5-9-19(28)8-4-2-3-7-18-14-22-25(26(31)24(18)27(32)33-16)21(15-23(30)34-22)17-10-12-20(29)13-11-17/h3,7,10-14,16,21,29,31H,2,4-6,8-9,15H2,1H3/b7-3+ | 4 | |
| 193 | 41 | 37 | | | 506.1940679199999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc2c(c1)OCCO2)CC(=O)O3 | | InChI=1S/C29H30O8/c1-17-6-5-9-20(30)8-4-2-3-7-19-15-24-27(28(32)26(19)29(33)36-17)21(16-25(31)37-24)18-10-11-22-23(14-18)35-13-12-34-22/h3,7,10-11,14-15,17,21,32H,2,4-6,8-9,12-13,16H2,1H3/b7-3+ | 5 | |
| 194 | 40 | 37 | | | 508.20971798399995 | COc1ccc(OC)c(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-19(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)22(16-25(31)37-24)21-15-20(34-2)12-13-23(21)35-3/h5,9,12-15,17,22,32H,4,6-8,10-11,16H2,1-3H3/b9-5+ | 4 | |
| 195 | 40 | 37 | | | 504.25118887199994 | COc1c2c(cc3c1C(c1ccc(C(C)C)cc1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H36O6/c1-19(2)21-13-15-22(16-14-21)25-18-27(33)37-26-17-23-10-6-5-7-11-24(32)12-8-9-20(3)36-31(34)28(23)30(35-4)29(25)26/h6,10,13-17,19-20,25H,5,7-9,11-12,18H2,1-4H3/b10-6+/t20-,25?/m0/s1 | 4 | |
| 196 | 40 | 37 | | | 506.230453428 | CC(C)Oc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C30H34O7/c1-18(2)35-23-14-12-20(13-15-23)24-17-26(32)37-25-16-21-9-5-4-6-10-22(31)11-7-8-19(3)36-30(34)27(21)29(33)28(24)25/h5,9,12-16,18-19,24,33H,4,6-8,10-11,17H2,1-3H3/b9-5+ | 4 | |
| 197 | 41 | 38 | | | 524.2046326039999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc(OC)c1O | | InChI=1S/C29H32O9/c1-16-8-7-11-19(30)10-6-4-5-9-17-12-21-26(28(33)25(17)29(34)37-16)20(15-24(31)38-21)18-13-22(35-2)27(32)23(14-18)36-3/h5,9,12-14,16,20,32-33H,4,6-8,10-11,15H2,1-3H3/b9-5+ | 4 | |
| 198 | 41 | 37 | | | 526.1394455039999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc(Cl)c2c(c1)OCO2)CC(=O)O3 | | InChI=1S/C28H27ClO8/c1-15-6-5-9-18(30)8-4-2-3-7-16-11-21-25(26(32)24(16)28(33)36-15)19(13-23(31)37-21)17-10-20(29)27-22(12-17)34-14-35-27/h3,7,10-12,15,19,32H,2,4-6,8-9,13-14H2,1H3/b7-3+ | 5 | |
| 199 | 39 | 36 | | | 492.214803364 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C29H32O7/c1-18-8-7-11-21(30)10-6-4-5-9-20-16-24-27(28(34-3)26(20)29(32)35-18)23(17-25(31)36-24)19-12-14-22(33-2)15-13-19/h5,9,12-16,18,23H,4,6-8,10-11,17H2,1-3H3/b9-5+/t18-,23?/m0/s1 | 4 | |
| 200 | 40 | 36 | | | 492.17841785599995 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc2c(c1)OCO2)CC(=O)O3 | | InChI=1S/C28H28O8/c1-16-6-5-9-19(29)8-4-2-3-7-18-13-23-26(27(31)25(18)28(32)35-16)20(14-24(30)36-23)17-10-11-21-22(12-17)34-15-33-21/h3,7,10-13,16,20,31H,2,4-6,8-9,14-15H2,1H3/b7-3+ | 5 | |
| 201 | 42 | 39 | | | 536.2410181119999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)ccc1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-24-14-13-20(15-25(24)36-4)23-17-27(33)39-26-16-21-10-6-5-7-11-22(32)12-8-9-19(3)38-31(35)28(21)30(34)29(23)26/h6,10,13-16,18-19,23,34H,5,7-9,11-12,17H2,1-4H3/b10-6+ | 4 | |
| 202 | 44 | 41 | | | 566.2151972879999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC(C)=O | | InChI=1S/C31H34O10/c1-17-9-8-12-21(33)11-7-5-6-10-19-13-23-28(29(35)27(19)31(36)39-17)22(16-26(34)41-23)20-14-24(37-3)30(40-18(2)32)25(15-20)38-4/h6,10,13-15,17,22,35H,5,7-9,11-12,16H2,1-4H3/b10-6+ | 4 | |
| 203 | 40 | 37 | | | 506.230453428 | CC(C)Oc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C30H34O7/c1-18(2)35-23-14-8-11-20(15-23)24-17-26(32)37-25-16-21-10-5-4-6-12-22(31)13-7-9-19(3)36-30(34)27(21)29(33)28(24)25/h5,8,10-11,14-16,18-19,24,33H,4,6-7,9,12-13,17H2,1-3H3/b10-5+ | 4 | |
| 204 | 41 | 38 | | | 520.246103492 | CC(C)COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C31H36O7/c1-19(2)18-36-24-14-8-11-21(15-24)25-17-27(33)38-26-16-22-10-5-4-6-12-23(32)13-7-9-20(3)37-31(35)28(22)30(34)29(25)26/h5,8,10-11,14-16,19-20,25,34H,4,6-7,9,12-13,17-18H2,1-3H3/b10-5+ | 4 | |
| 205 | 38 | 35 | | | 478.1991533 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C28H30O7/c1-17-8-6-12-20(29)11-5-3-4-9-19-15-23-26(27(31)25(19)28(32)34-17)22(16-24(30)35-23)18-10-7-13-21(14-18)33-2/h4,7,9-10,13-15,17,22,31H,3,5-6,8,11-12,16H2,1-2H3/b9-4+ | 4 | |
| 206 | 41 | 38 | | | 522.225368048 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1 | | InChI=1S/C30H34O8/c1-18-9-8-12-20(31)11-7-5-6-10-19-15-25-28(29(36-4)27(19)30(33)37-18)23(17-26(32)38-25)22-14-13-21(34-2)16-24(22)35-3/h6,10,13-16,18,23H,5,7-9,11-12,17H2,1-4H3/b10-6+/t18-,23?/m0/s1 | 4 | |
| 207 | 49 | 45 | | | 612.27231824 | COc1ccc(CCOc2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)cc2)cc1 | | InChI=1S/C37H40O8/c1-24-8-7-11-28(38)10-6-4-5-9-27-22-32-35(36(42-3)34(27)37(40)44-24)31(23-33(39)45-32)26-14-18-30(19-15-26)43-21-20-25-12-16-29(41-2)17-13-25/h5,9,12-19,22,24,31H,4,6-8,10-11,20-21,23H2,1-3H3/b9-5+/t24-,31?/m0/s1 | 5 | |
| 208 | 46 | 42 | | | 573.2362670799998 | COc1ccc2cc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)c(=O)n(C)c2c1 | | InChI=1S/C33H35NO8/c1-19-9-8-12-22(35)11-7-5-6-10-21-16-27-30(31(40-4)29(21)33(38)41-19)24(18-28(36)42-27)25-15-20-13-14-23(39-3)17-26(20)34(2)32(25)37/h6,10,13-17,19,24H,5,7-9,11-12,18H2,1-4H3/b10-6+/t19-,24?/m0/s1 | 5 | |
| 209 | 36 | 33 | | | 449.18383758400006 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cccnc1)CC(=O)O3 | | InChI=1S/C26H27NO6/c1-16-7-5-11-19(28)10-4-2-3-8-17-13-21-24(25(30)23(17)26(31)32-16)20(14-22(29)33-21)18-9-6-12-27-15-18/h3,6,8-9,12-13,15-16,20,30H,2,4-5,7,10-11,14H2,1H3/b8-3+ | 4 | |
| 210 | 46 | 41 | | | 555.2257023959999 | COc1c2c(cc3c1C(c1cc4cccc5c4n(c1=O)CC5)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C33H33NO7/c1-19-8-6-13-23(35)12-5-3-4-9-21-17-26-29(31(39-2)28(21)33(38)40-19)24(18-27(36)41-26)25-16-22-11-7-10-20-14-15-34(30(20)22)32(25)37/h4,7,9-11,16-17,19,24H,3,5-6,8,12-15,18H2,1-2H3/b9-4+/t19-,24?/m0/s1 | 6 | |
| 211 | 42 | 38 | | | 515.1944022679999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc2ccccc2nc1O)CC(=O)O3 | | InChI=1S/C30H29NO7/c1-17-8-7-12-20(32)11-4-2-3-10-19-15-24-27(28(34)26(19)30(36)37-17)21(16-25(33)38-24)22-14-18-9-5-6-13-23(18)31-29(22)35/h3,5-6,9-10,13-15,17,21,34H,2,4,7-8,11-12,16H2,1H3,(H,31,35)/b10-3+ | 5 | |
| 212 | 45 | 41 | | | 556.2097179839999 | CC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)o2)cc1 | | InChI=1S/C33H32O8/c1-19-7-6-10-24(35)9-5-3-4-8-23-17-28-31(32(37)30(23)33(38)39-19)25(18-29(36)41-28)27-16-15-26(40-27)22-13-11-21(12-14-22)20(2)34/h4,8,11-17,19,25,37H,3,5-7,9-10,18H2,1-2H3/b8-4+ | 5 | |
| 213 | 43 | 40 | | | 550.256668176 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-31-23(14-9-15-25(31)37-4)24-17-27(34)40-26-16-21-11-6-5-7-12-22(33)13-8-10-20(3)39-32(36)28(21)30(35)29(24)26/h6,9,11,14-16,19-20,24,35H,5,7-8,10,12-13,17-18H2,1-4H3/b11-6+ | 4 | |
| 214 | 51 | 47 | | | 644.2257619719998 | COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)o2)c1 | | InChI=1S/C36H36O11/c1-20-9-8-12-25(37)11-7-5-6-10-21-18-29-32(33(42-2)31(21)36(41)45-20)26(19-30(38)47-29)28-14-13-27(46-28)22-15-23(34(39)43-3)17-24(16-22)35(40)44-4/h6,10,13-18,20,26H,5,7-9,11-12,19H2,1-4H3/b10-6+/t20-,26?/m0/s1 | 5 | |
| 215 | 42 | 38 | | | 514.1991532999999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(-c2ccccc2)o1)CC(=O)O3 | | InChI=1S/C31H30O7/c1-19-9-8-14-22(32)13-7-3-6-12-21-17-26-29(30(34)28(21)31(35)36-19)23(18-27(33)38-26)25-16-15-24(37-25)20-10-4-2-5-11-20/h2,4-6,10-12,15-17,19,23,34H,3,7-9,13-14,18H2,1H3/b12-6+ | 5 | |
| 216 | 46 | 41 | | | 555.2257023959999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc2cccc4c2n(c1=O)CCC4)CC(=O)O3 | | InChI=1S/C33H33NO7/c1-19-8-5-14-23(35)13-4-2-3-9-21-17-26-29(31(37)28(21)33(39)40-19)24(18-27(36)41-26)25-16-22-11-6-10-20-12-7-15-34(30(20)22)32(25)38/h3,6,9-11,16-17,19,24,37H,2,4-5,7-8,12-15,18H2,1H3/b9-3+ | 6 | |
| 217 | 44 | 40 | | | 543.2257023959999 | COc1c2c(cc3c1C(c1cc4ccccc4n(C)c1=O)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C32H33NO7/c1-19-10-9-14-22(34)13-6-4-5-12-21-17-26-29(30(38-3)28(21)32(37)39-19)23(18-27(35)40-26)24-16-20-11-7-8-15-25(20)33(2)31(24)36/h5,7-8,11-12,15-17,19,23H,4,6,9-10,13-14,18H2,1-3H3/b12-5+/t19-,23?/m0/s1 | 5 | |
| 218 | 35 | 32 | | | 438.167853172 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccco1)CC(=O)O3 | | InChI=1S/C25H26O7/c1-15-7-5-10-17(26)9-4-2-3-8-16-13-20-23(24(28)22(16)25(29)31-15)18(14-21(27)32-20)19-11-6-12-30-19/h3,6,8,11-13,15,18,28H,2,4-5,7,9-10,14H2,1H3/b8-3+ | 4 | |
| 219 | 41 | 38 | | | 522.18898254 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccccc1OCC(=O)O)CC(=O)O3 | | InChI=1S/C29H30O9/c1-17-8-7-11-19(30)10-4-2-3-9-18-14-23-27(28(34)26(18)29(35)37-17)21(15-25(33)38-23)20-12-5-6-13-22(20)36-16-24(31)32/h3,5-6,9,12-14,17,21,34H,2,4,7-8,10-11,15-16H2,1H3,(H,31,32)/b9-3+ | 4 | |
| 220 | 41 | 37 | | | 499.19948764799994 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc2ncccc2c1)CC(=O)O3 | | InChI=1S/C30H29NO6/c1-18-7-5-11-22(32)10-4-2-3-8-21-16-25-28(29(34)27(21)30(35)36-18)23(17-26(33)37-25)19-12-13-24-20(15-19)9-6-14-31-24/h3,6,8-9,12-16,18,23,34H,2,4-5,7,10-11,17H2,1H3/b8-3+ | 5 | |
| 221 | 41 | 37 | | | 502.1991532999999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(C1=Cc2ccccc2OC1)CC(=O)O3 | | InChI=1S/C30H30O7/c1-18-8-7-12-22(31)11-4-2-3-10-20-15-25-28(29(33)27(20)30(34)36-18)23(16-26(32)37-25)21-14-19-9-5-6-13-24(19)35-17-21/h3,5-6,9-10,13-15,18,23,33H,2,4,7-8,11-12,16-17H2,1H3/b10-3+ | 5 | |
| 222 | 41 | 38 | | | 522.225368048 | COc1cc(OC)cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C30H34O8/c1-18-9-8-12-21(31)11-7-5-6-10-19-15-25-28(29(36-4)27(19)30(33)37-18)24(17-26(32)38-25)20-13-22(34-2)16-23(14-20)35-3/h6,10,13-16,18,24H,5,7-9,11-12,17H2,1-4H3/b10-6+/t18-,24?/m0/s1 | 4 | |
| 223 | 48 | 44 | | | 599.2883026519999 | COc1c2c(cc3c1C(c1cc4cc(C)ccc4n(CC(C)C)c1=O)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C36H41NO7/c1-21(2)20-37-29-15-14-22(3)16-25(29)17-28(35(37)40)27-19-31(39)44-30-18-24-11-7-6-8-12-26(38)13-9-10-23(4)43-36(41)32(24)34(42-5)33(27)30/h7,11,14-18,21,23,27H,6,8-10,12-13,19-20H2,1-5H3/b11-7+/t23-,27?/m0/s1 | 5 | |
| 224 | 45 | 40 | | | 541.2100523319999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc2cccc4c2n(c1=O)CC4)CC(=O)O3 | | InChI=1S/C32H31NO7/c1-18-7-5-12-22(34)11-4-2-3-8-20-16-25-28(30(36)27(20)32(38)39-18)23(17-26(35)40-25)24-15-21-10-6-9-19-13-14-33(29(19)21)31(24)37/h3,6,8-10,15-16,18,23,36H,2,4-5,7,11-14,17H2,1H3/b8-3+ | 6 | |
| 225 | 46 | 42 | | | 572.2046326039999 | COC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)o2)cc1 | | InChI=1S/C33H32O9/c1-19-7-6-10-23(34)9-5-3-4-8-22-17-27-30(31(36)29(22)33(38)40-19)24(18-28(35)42-27)26-16-15-25(41-26)20-11-13-21(14-12-20)32(37)39-2/h4,8,11-17,19,24,36H,3,5-7,9-10,18H2,1-2H3/b8-4+ | 5 | |
| 226 | 36 | 33 | | | 452.183503236 | COc1c2c(cc3c1C(c1ccco1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C26H28O7/c1-16-8-6-11-18(27)10-5-3-4-9-17-14-21-24(25(30-2)23(17)26(29)32-16)19(15-22(28)33-21)20-12-7-13-31-20/h4,7,9,12-14,16,19H,3,5-6,8,10-11,15H2,1-2H3/b9-4+/t16-,19?/m0/s1 | 4 | |
| 227 | 39 | 36 | | | 492.17841785599995 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(C(=O)O)cc1)CC(=O)O3 | | InChI=1S/C28H28O8/c1-16-6-5-9-20(29)8-4-2-3-7-19-14-22-25(26(31)24(19)28(34)35-16)21(15-23(30)36-22)17-10-12-18(13-11-17)27(32)33/h3,7,10-14,16,21,31H,2,4-6,8-9,15H2,1H3,(H,32,33)/b7-3+ | 4 | |
| 228 | 42 | 38 | | | 516.214803364 | COc1c2c(cc3c1C(C1=Cc4ccccc4OC1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H32O7/c1-19-9-8-13-23(32)12-5-3-4-11-21-16-26-29(30(35-2)28(21)31(34)37-19)24(17-27(33)38-26)22-15-20-10-6-7-14-25(20)36-18-22/h4,6-7,10-11,14-16,19,24H,3,5,8-9,12-13,17-18H2,1-2H3/b11-4+/t19-,24?/m0/s1 | 5 | |
| 229 | 40 | 37 | | | 508.2097179839999 | COc1cc(OC)cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-20(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)23(16-25(31)37-24)19-12-21(34-2)15-22(13-19)35-3/h5,9,12-15,17,23,32H,4,6-8,10-11,16H2,1-3H3/b9-5+ | 4 | |
| 230 | 45 | 41 | | | 559.2206170159999 | COc1ccc2cc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)c(=O)n(C)c2c1 | | InChI=1S/C32H33NO8/c1-18-8-7-11-21(34)10-6-4-5-9-20-15-26-29(30(36)28(20)32(38)40-18)23(17-27(35)41-26)24-14-19-12-13-22(39-3)16-25(19)33(2)31(24)37/h5,9,12-16,18,23,36H,4,6-8,10-11,17H2,1-3H3/b9-5+ | 5 | |
| 231 | 43 | 39 | | | 529.2100523319999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc2ccccc2n(C)c1=O)CC(=O)O3 | | InChI=1S/C31H31NO7/c1-18-9-8-13-21(33)12-5-3-4-11-20-16-25-28(29(35)27(20)31(37)38-18)22(17-26(34)39-25)23-15-19-10-6-7-14-24(19)32(2)30(23)36/h4,6-7,10-11,14-16,18,22,35H,3,5,8-9,12-13,17H2,1-2H3/b11-4+ | 5 | |
| 232 | 44 | 40 | | | 550.220282668 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc2c1OCCO2 | | InChI=1S/C31H34O9/c1-18-8-7-11-21(32)10-6-4-5-9-19-14-23-28(30(36-3)27(19)31(34)39-18)22(17-26(33)40-23)20-15-24(35-2)29-25(16-20)37-12-13-38-29/h5,9,14-16,18,22H,4,6-8,10-13,17H2,1-3H3/b9-5+/t18-,22?/m0/s1 | 5 | |
| 233 | 47 | 43 | | | 586.220282668 | COC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)o2)cc1 | | InChI=1S/C34H34O9/c1-20-8-7-11-24(35)10-6-4-5-9-23-18-28-31(32(39-2)30(23)34(38)41-20)25(19-29(36)43-28)27-17-16-26(42-27)21-12-14-22(15-13-21)33(37)40-3/h5,9,12-18,20,25H,4,6-8,10-11,19H2,1-3H3/b9-5+/t20-,25?/m0/s1 | 5 | |
| 234 | 43 | 39 | | | 528.214803364 | COc1c2c(cc3c1C(c1ccc(-c4ccccc4)o1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C32H32O7/c1-20-10-9-15-23(33)14-8-4-7-13-22-18-27-30(31(36-2)29(22)32(35)37-20)24(19-28(34)39-27)26-17-16-25(38-26)21-11-5-3-6-12-21/h3,5-7,11-13,16-18,20,24H,4,8-10,14-15,19H2,1-2H3/b13-7+/t20-,24?/m0/s1 | 5 | |
| 235 | 48 | 44 | | | 598.2566681760001 | COc1ccc(CCOc2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)cc2)cc1 | | InChI=1S/C36H38O8/c1-23-7-6-10-27(37)9-5-3-4-8-26-21-31-34(35(39)33(26)36(40)43-23)30(22-32(38)44-31)25-13-17-29(18-14-25)42-20-19-24-11-15-28(41-2)16-12-24/h4,8,11-18,21,23,30,39H,3,5-7,9-10,19-20,22H2,1-2H3/b8-4+ | 5 | |
| 236 | 50 | 46 | | | 630.2101119079998 | COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)o2)c1 | | InChI=1S/C35H34O11/c1-19-8-7-11-24(36)10-6-4-5-9-20-17-28-31(32(38)30(20)35(41)44-19)25(18-29(37)46-28)27-13-12-26(45-27)21-14-22(33(39)42-2)16-23(15-21)34(40)43-3/h5,9,12-17,19,25,38H,4,6-8,10-11,18H2,1-3H3/b9-5+ | 5 | |
| 237 | 47 | 42 | | | 569.2413524599998 | COc1c2c(cc3c1C(c1cc4cccc5c4n(c1=O)CCC5)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C34H35NO7/c1-20-9-6-15-24(36)14-5-3-4-10-22-18-27-30(32(40-2)29(22)34(39)41-20)25(19-28(37)42-27)26-17-23-12-7-11-21-13-8-16-35(31(21)23)33(26)38/h4,7,10-12,17-18,20,25H,3,5-6,8-9,13-16,19H2,1-2H3/b10-4+/t20-,25?/m0/s1 | 6 | |
| 238 | 43 | 40 | | | 551.2155316359999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OCC(N)=O | | InChI=1S/C30H33NO9/c1-17-7-6-10-20(32)9-5-3-4-8-19-14-24-28(29(35)27(19)30(36)39-17)21(15-26(34)40-24)18-11-12-22(37-2)23(13-18)38-16-25(31)33/h4,8,11-14,17,21,35H,3,5-7,9-10,15-16H2,1-2H3,(H2,31,33)/b8-4+ | 4 | |
| 239 | 48 | 44 | | | 596.27740362 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(OCc2ccc(C(C)C)cc2)cc1)CC(=O)O3 | | InChI=1S/C37H40O7/c1-23(2)26-14-12-25(13-15-26)22-42-30-18-16-27(17-19-30)31-21-33(39)44-32-20-28-9-5-4-6-10-29(38)11-7-8-24(3)43-37(41)34(28)36(40)35(31)32/h5,9,12-20,23-24,31,40H,4,6-8,10-11,21-22H2,1-3H3/b9-5+ | 5 | |
| 240 | 40 | 37 | | | 503.230787776 | Cc1c(C(=O)COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c2ccccc2n1C | | InChI=1S/C30H33NO6/c1-19-10-9-13-22(32)12-6-4-5-11-21-16-23(17-26(33)29(21)30(35)37-19)36-18-27(34)28-20(2)31(3)25-15-8-7-14-24(25)28/h5,7-8,11,14-17,19,33H,4,6,9-10,12-13,18H2,1-3H3/b11-5+/t19-/m0/s1 | 4 | |
| 241 | 53 | 49 | | | 667.2893652719999 | COc1ccc(C(CC(=O)NCCn2cnc3ccccc3c2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H41N3O8/c1-24-9-8-12-27(42)11-5-3-4-10-26-21-32(43)35(36(45)34(26)38(47)49-24)30(25-15-17-28(48-2)18-16-25)22-33(44)39-19-20-41-23-40-31-14-7-6-13-29(31)37(41)46/h4,6-7,10,13-18,21,23-24,30,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)/b10-4+/t24-,30?/m0/s1 | 5 | |
| 242 | 53 | 49 | | | 669.3050153359999 | COc1ccc(C(CC(=O)NCCn2c(CO)nc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H43N3O8/c1-24-9-8-12-27(43)11-5-3-4-10-26-21-32(44)36(37(46)35(26)38(47)49-24)29(25-15-17-28(48-2)18-16-25)22-34(45)39-19-20-41-31-14-7-6-13-30(31)40-33(41)23-42/h4,6-7,10,13-18,21,24,29,42,44,46H,3,5,8-9,11-12,19-20,22-23H2,1-2H3,(H,39,45)/b10-4+/t24-,29?/m0/s1 | 5 | |
| 243 | 46 | 44 | | | 613.2886965759998 | COc1cc(C(CC(=O)NCCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H43NO10/c1-20-10-8-13-23(36)12-7-5-6-11-21-16-25(37)30(31(39)29(21)33(40)44-20)24(19-28(38)34-14-9-15-35)22-17-26(41-2)32(43-4)27(18-22)42-3/h6,11,16-18,20,24,35,37,39H,5,7-10,12-15,19H2,1-4H3,(H,34,38)/b11-6+/t20-,24?/m0/s1 | 3 | |
| 244 | 46 | 43 | | | 591.269298524 | COc1ccc(C(CC(=O)NCc2n[nH]c(N)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H37N5O7/c1-18-7-6-10-21(37)9-5-3-4-8-20-15-24(38)28(29(40)27(20)30(41)43-18)23(19-11-13-22(42-2)14-12-19)16-26(39)33-17-25-34-31(32)36-35-25/h4,8,11-15,18,23,38,40H,3,5-7,9-10,16-17H2,1-2H3,(H,33,39)(H3,32,34,35,36)/b8-4+/t18-,23?/m0/s1 | 4 | |
| 245 | 50 | 47 | | | 649.2999299559998 | COc1cc(C(CC(=O)NCc2c[nH]nc2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H43N3O9/c1-20-10-9-13-25(39)12-8-6-7-11-22-14-27(40)32(33(42)31(22)35(43)47-20)26(17-30(41)36-18-24-19-37-38-21(24)2)23-15-28(44-3)34(46-5)29(16-23)45-4/h7,11,14-16,19-20,26,40,42H,6,8-10,12-13,17-18H2,1-5H3,(H,36,41)(H,37,38)/b11-7+/t20-,26?/m0/s1 | 4 | |
| 246 | 60 | 56 | | | 771.3730948959999 | COc1cc(C(CC(=O)NCCC(=O)N2CCCCC2c2cccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H53N3O10/c1-27-12-10-16-31(47)15-7-5-6-13-28-22-34(48)40(41(51)39(28)43(52)56-27)32(30-23-35(53-2)42(55-4)36(24-30)54-3)25-37(49)45-20-18-38(50)46-21-9-8-17-33(46)29-14-11-19-44-26-29/h6,11,13-14,19,22-24,26-27,32-33,48,51H,5,7-10,12,15-18,20-21,25H2,1-4H3,(H,45,49)/b13-6+/t27-,32?,33?/m0/s1 | 5 | |
| 247 | 52 | 49 | | | 695.2512655119999 | COc1cc(C(CC(=O)NCC(=O)Nc2nccs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H41N3O10S/c1-20-9-8-12-23(39)11-7-5-6-10-21-15-25(40)31(32(43)30(21)34(44)48-20)24(22-16-26(45-2)33(47-4)27(17-22)46-3)18-28(41)37-19-29(42)38-35-36-13-14-49-35/h6,10,13-17,20,24,40,43H,5,7-9,11-12,18-19H2,1-4H3,(H,37,41)(H,36,38,42)/b10-6+/t20-,24?/m0/s1 | 4 | |
| 248 | 54 | 51 | | | 702.315245672 | COc1ccc(C(CC(=O)NCCC(=O)Nc2ccc(OC)cc2OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H46N2O10/c1-24-9-8-12-27(42)11-7-5-6-10-26-21-32(43)37(38(46)36(26)39(47)51-24)30(25-13-15-28(48-2)16-14-25)23-35(45)40-20-19-34(44)41-31-18-17-29(49-3)22-33(31)50-4/h6,10,13-18,21-22,24,30,43,46H,5,7-9,11-12,19-20,23H2,1-4H3,(H,40,45)(H,41,44)/b10-6+/t24-,30?/m0/s1 | 4 | |
| 249 | 47 | 44 | | | 603.283217272 | COc1ccc(C(CC(=O)NCCCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H41NO8/c1-23-9-6-12-26(37)11-5-3-4-10-25-21-30(38)33(34(40)32(25)35(41)44-23)29(24-15-17-27(42-2)18-16-24)22-31(39)36-19-7-13-28-14-8-20-43-28/h4,8,10,14-18,20-21,23,29,38,40H,3,5-7,9,11-13,19,22H2,1-2H3,(H,36,39)/b10-4+/t23-,29?/m0/s1 | 4 | |
| 250 | 72 | 66 | | | 875.399309644 | [H][C@]12CN(C(=O)C(Cc3ccccc3)NC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C50H57N3O11/c1-30-13-11-18-36(54)17-10-6-9-16-33-23-40(55)46(47(58)45(33)50(60)64-30)37(34-24-41(61-2)48(63-4)42(25-34)62-3)26-43(56)51-38(22-31-14-7-5-8-15-31)49(59)52-27-32-21-35(29-52)39-19-12-20-44(57)53(39)28-32/h5,7-9,12,14-16,19-20,23-25,30,32,35,37-38,55,58H,6,10-11,13,17-18,21-22,26-29H2,1-4H3,(H,51,56)/b16-9+/t30-,32+,35-,37?,38?/m0/s1 | 7 | |
| 251 | 55 | 51 | | | 699.3155800199999 | COc1cc(C(CC(=O)NCCn2cnc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-24-11-10-14-27(43)13-7-5-6-12-25-19-31(44)36(37(46)35(25)39(47)51-24)28(26-20-32(48-2)38(50-4)33(21-26)49-3)22-34(45)40-17-18-42-23-41-29-15-8-9-16-30(29)42/h6,8-9,12,15-16,19-21,23-24,28,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,40,45)/b12-6+/t24-,28?/m0/s1 | 5 | |
| 252 | 46 | 43 | | | 606.239972556 | COc1ccc(C(CC(=O)NCc2csc(C)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H38N2O7S/c1-20-8-7-11-25(36)10-6-4-5-9-23-16-28(37)31(32(39)30(23)33(40)42-20)27(22-12-14-26(41-3)15-13-22)17-29(38)34-18-24-19-43-21(2)35-24/h5,9,12-16,19-20,27,37,39H,4,6-8,10-11,17-18H2,1-3H3,(H,34,38)/b9-5+/t20-,27?/m0/s1 | 4 | |
| 253 | 53 | 50 | | | 691.2992612599998 | COc1cc(C(CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO11/c1-22-9-8-12-26(40)11-7-5-6-10-24-18-30(43)35(36(45)34(24)38(46)50-22)27(25-19-31(47-2)37(49-4)32(20-25)48-3)21-33(44)39-16-15-23-13-14-28(41)29(42)17-23/h6,10,13-14,17-20,22,27,41-43,45H,5,7-9,11-12,15-16,21H2,1-4H3,(H,39,44)/b10-6+/t22-,27?/m0/s1 | 4 | |
| 254 | 55 | 51 | | | 703.2741091319999 | COc1cc(C(CC(=O)NCc2nc(-c3ccco3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H41N3O11/c1-21-10-8-13-24(41)12-7-5-6-11-22-16-26(42)33(34(44)32(22)37(45)50-21)25(23-17-28(46-2)35(48-4)29(18-23)47-3)19-30(43)38-20-31-39-36(40-51-31)27-14-9-15-49-27/h6,9,11,14-18,21,25,42,44H,5,7-8,10,12-13,19-20H2,1-4H3,(H,38,43)/b11-6+/t21-,25?/m0/s1 | 5 | |
| 255 | 54 | 51 | | | 708.3006582279999 | COc1cc(C(CC(=O)NCC(=O)NCc2nc(C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H44N4O11/c1-20-10-9-13-24(41)12-8-6-7-11-22-14-26(42)33(34(45)32(22)36(46)50-20)25(23-15-27(47-3)35(49-5)28(16-23)48-4)17-29(43)37-18-30(44)38-19-31-39-21(2)40-51-31/h7,11,14-16,20,25,42,45H,6,8-10,12-13,17-19H2,1-5H3,(H,37,43)(H,38,44)/b11-7+/t20-,25?/m0/s1 | 4 | |
| 256 | 55 | 51 | | | 699.3155800199999 | COc1cc(C(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-22-12-11-15-26(43)14-8-6-7-13-24-18-30(44)35(36(46)34(24)39(47)51-22)27(25-19-31(48-3)37(50-5)32(20-25)49-4)21-33(45)40-23(2)38-41-28-16-9-10-17-29(28)42-38/h7,9-10,13,16-20,22-23,27,44,46H,6,8,11-12,14-15,21H2,1-5H3,(H,40,45)(H,41,42)/b13-7+/t22-,23-,27?/m0/s1 | 5 | |
| 257 | 48 | 46 | | | 640.2995956079998 | COc1cc(C(CC(=O)NCCNC(C)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H44N2O10/c1-20-10-9-13-24(38)12-8-6-7-11-22-16-26(39)31(32(41)30(22)34(42)46-20)25(19-29(40)36-15-14-35-21(2)37)23-17-27(43-3)33(45-5)28(18-23)44-4/h7,11,16-18,20,25,39,41H,6,8-10,12-15,19H2,1-5H3,(H,35,37)(H,36,40)/b11-7+/t20-,25?/m0/s1 | 3 | |
| 258 | 48 | 46 | | | 662.2509311639999 | COc1cc(C(CC(=O)NCCS(N)(=O)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C32H42N2O11S/c1-19-9-8-12-22(35)11-7-5-6-10-20-15-24(36)29(30(38)28(20)32(39)45-19)23(18-27(37)34-13-14-46(33,40)41)21-16-25(42-2)31(44-4)26(17-21)43-3/h6,10,15-17,19,23,36,38H,5,7-9,11-14,18H2,1-4H3,(H,34,37)(H2,33,40,41)/b10-6+/t19-,23?/m0/s1 | 3 | |
| 259 | 56 | 52 | | | 720.3006582279999 | COc1cc(C(CC(=O)NCc2noc(C3CCC(=O)N3)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H44N4O11/c1-20-9-8-12-23(42)11-7-5-6-10-21-15-26(43)33(34(46)32(21)37(47)51-20)24(22-16-27(48-2)35(50-4)28(17-22)49-3)18-31(45)38-19-29-40-36(52-41-29)25-13-14-30(44)39-25/h6,10,15-17,20,24-25,43,46H,5,7-9,11-14,18-19H2,1-4H3,(H,38,45)(H,39,44)/b10-6+/t20-,24?,25?/m0/s1 | 5 | |
| 260 | 59 | 55 | | | 773.3346012119997 | COc1cc(C(CC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C42H51N3O9S/c1-25-13-12-16-28(46)15-9-7-8-14-26-21-33(47)38(39(49)37(26)42(50)54-25)29(27-22-34(51-3)40(53-5)35(23-27)52-4)24-36(48)43-31(19-20-55-6)41-44-30-17-10-11-18-32(30)45(41)2/h8,10-11,14,17-18,21-23,25,29,31,47,49H,7,9,12-13,15-16,19-20,24H2,1-6H3,(H,43,48)/b14-8+/t25-,29?,31-/m0/s1 | 5 | |
| 261 | 57 | 53 | | | 728.3057436079998 | COc1cc(C(CC(=O)NCCc2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H44N4O10/c1-23-11-10-14-26(44)13-7-5-6-12-24-19-29(45)35(36(47)34(24)39(48)52-23)27(25-20-30(49-2)37(51-4)31(21-25)50-3)22-32(46)41-18-16-33-42-38(43-53-33)28-15-8-9-17-40-28/h6,8-9,12,15,17,19-21,23,27,45,47H,5,7,10-11,13-14,16,18,22H2,1-4H3,(H,41,46)/b12-6+/t23-,27?/m0/s1 | 5 | |
| 262 | 57 | 53 | | | 728.3308957359998 | COc1cc(C(CC(=O)NCC(=O)N2CCCc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N2O10/c1-25-12-10-17-29(44)16-7-5-6-14-27-20-32(45)38(39(48)37(27)41(49)53-25)30(28-21-33(50-2)40(52-4)34(22-28)51-3)23-35(46)42-24-36(47)43-19-11-15-26-13-8-9-18-31(26)43/h6,8-9,13-14,18,20-22,25,30,45,48H,5,7,10-12,15-17,19,23-24H2,1-4H3,(H,42,46)/b14-6+/t25-,30?/m0/s1 | 5 | |
| 263 | 55 | 52 | | | 719.3305613879998 | COc1ccc(CCNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1OC | | InChI=1S/C40H49NO11/c1-24-11-10-14-28(42)13-9-7-8-12-26-20-30(43)37(38(45)36(26)40(46)52-24)29(27-21-33(49-4)39(51-6)34(22-27)50-5)23-35(44)41-18-17-25-15-16-31(47-2)32(19-25)48-3/h8,12,15-16,19-22,24,29,43,45H,7,9-11,13-14,17-18,23H2,1-6H3,(H,41,44)/b12-8+/t24-,29?/m0/s1 | 4 | |
| 264 | 65 | 60 | | | 817.3938303399999 | COc1cc(C(CC(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C48H55N3O9/c1-29-13-12-16-34(52)15-9-7-8-14-31-23-40(53)45(46(55)44(31)48(56)60-29)36(32-24-41(57-4)47(59-6)42(25-32)58-5)26-43(54)50-27-37(30-19-21-33(22-20-30)51(2)3)38-28-49-39-18-11-10-17-35(38)39/h8,10-11,14,17-25,28-29,36-37,49,53,55H,7,9,12-13,15-16,26-27H2,1-6H3,(H,50,54)/b14-8+/t29-,36?,37?/m0/s1 | 6 | |
| 265 | 50 | 48 | | | 668.3308957359998 | CC[C@H](C)[C@H](NC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(N)=O | | InChI=1S/C36H48N2O10/c1-7-20(2)32(35(37)43)38-29(41)19-25(23-17-27(45-4)34(47-6)28(18-23)46-5)31-26(40)16-22-13-9-8-10-14-24(39)15-11-12-21(3)48-36(44)30(22)33(31)42/h9,13,16-18,20-21,25,32,40,42H,7-8,10-12,14-15,19H2,1-6H3,(H2,37,43)(H,38,41)/b13-9+/t20-,21-,25?,32-/m0/s1 | 3 | |
| 266 | 62 | 57 | | | 781.3938303399998 | COc1cc(C(CC(=O)NCC2(Cc3nc4ccccc4[nH]3)CCCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C45H55N3O9/c1-28-14-13-17-31(49)16-8-5-7-15-29-22-35(50)41(42(52)40(29)44(53)57-28)32(30-23-36(54-2)43(56-4)37(24-30)55-3)25-39(51)46-27-45(20-11-6-12-21-45)26-38-47-33-18-9-10-19-34(33)48-38/h7,9-10,15,18-19,22-24,28,32,50,52H,5-6,8,11-14,16-17,20-21,25-27H2,1-4H3,(H,46,51)(H,47,48)/b15-7+/t28-,32?/m0/s1 | 6 | |
| 267 | 59 | 55 | | | 756.3370437359998 | COCc1n[nH]c(C(NC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)c2ccccc2)n1 | | InChI=1S/C41H48N4O10/c1-24-13-12-18-28(46)17-11-7-10-16-26-19-30(47)36(38(49)35(26)41(50)55-24)29(27-20-31(52-3)39(54-5)32(21-27)53-4)22-34(48)43-37(25-14-8-6-9-15-25)40-42-33(23-51-2)44-45-40/h6,8-10,14-16,19-21,24,29,37,47,49H,7,11-13,17-18,22-23H2,1-5H3,(H,43,48)(H,42,44,45)/b16-10+/t24-,29?,37?/m0/s1 | 5 | |
| 268 | 50 | 47 | | | 666.2611019239998 | COc1cc(C(CC(=O)NCc2csc(C)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H42N2O9S/c1-20-10-9-13-25(38)12-8-6-7-11-22-14-27(39)32(33(41)31(22)35(42)46-20)26(17-30(40)36-18-24-19-47-21(2)37-24)23-15-28(43-3)34(45-5)29(16-23)44-4/h7,11,14-16,19-20,26,39,41H,6,8-10,12-13,17-18H2,1-5H3,(H,36,40)/b11-7+/t20-,26?/m0/s1 | 4 | |
| 269 | 53 | 50 | | | 695.3417947679999 | COc1cc(C(CC(=O)NC2CCN(CC(N)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H49N3O10/c1-22-9-8-12-26(41)11-7-5-6-10-23-17-28(42)34(35(45)33(23)37(46)50-22)27(24-18-29(47-2)36(49-4)30(19-24)48-3)20-32(44)39-25-13-15-40(16-14-25)21-31(38)43/h6,10,17-19,22,25,27,42,45H,5,7-9,11-16,20-21H2,1-4H3,(H2,38,43)(H,39,44)/b10-6+/t22-,27?/m0/s1 | 4 | |
| 270 | 54 | 52 | | | 719.4761034200001 | CCCCCCCCCCCCCCCCNC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C44H65NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-45-40(48)32-38(34-26-28-37(51-3)29-27-34)42-39(47)31-35-23-18-17-19-24-36(46)25-21-22-33(2)52-44(50)41(35)43(42)49/h18,23,26-29,31,33,38,47,49H,4-17,19-22,24-25,30,32H2,1-3H3,(H,45,48)/b23-18+/t33-,38?/m0/s1 | 3 | |
| 271 | 55 | 51 | | | 700.3108289879999 | COc1cc(C(CC(=O)NCCc2nnc3ccccn23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H44N4O9/c1-23-11-10-14-26(43)13-7-5-6-12-24-19-28(44)35(36(46)34(24)38(47)51-23)27(25-20-29(48-2)37(50-4)30(21-25)49-3)22-33(45)39-17-16-32-41-40-31-15-8-9-18-42(31)32/h6,8-9,12,15,18-21,23,27,44,46H,5,7,10-11,13-14,16-17,22H2,1-4H3,(H,39,45)/b12-6+/t23-,27?/m0/s1 | 5 | |
| 272 | 59 | 56 | | | 778.34252304 | COc1cc(C(CC(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H50N4O12/c1-23-11-10-14-27(45)13-9-7-8-12-24-17-29(46)36(37(50)35(24)39(51)56-23)28(25-18-30(53-4)38(55-6)31(19-25)54-5)21-33(48)41-16-15-32(47)42-22-26-20-34(49)44(3)40(52)43(26)2/h8,12,17-20,23,28,46,50H,7,9-11,13-16,21-22H2,1-6H3,(H,41,48)(H,42,47)/b12-8+/t23-,28?/m0/s1 | 4 | |
| 273 | 60 | 57 | | | 792.383325232 | COc1cc(C(CC(=O)NCC(c2cc(OC)c(OC)c(OC)c2)N(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H56N2O12/c1-25-14-13-17-29(46)16-12-10-11-15-26-18-32(47)39(40(49)38(26)43(50)57-25)30(27-19-33(51-4)41(55-8)34(20-27)52-5)23-37(48)44-24-31(45(2)3)28-21-35(53-6)42(56-9)36(22-28)54-7/h11,15,18-22,25,30-31,47,49H,10,12-14,16-17,23-24H2,1-9H3,(H,44,48)/b15-11+/t25-,30?,31?/m0/s1 | 4 | |
| 274 | 54 | 51 | | | 707.3054092599998 | COc1cc(C(CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H45N3O11/c1-21-11-10-14-25(41)13-9-7-8-12-22-15-27(42)33(34(45)32(22)36(46)51-21)26(23-16-28(48-4)35(50-6)29(17-23)49-5)19-30(43)38-20-24-18-31(44)40(3)37(47)39(24)2/h8,12,15-18,21,26,42,45H,7,9-11,13-14,19-20H2,1-6H3,(H,38,43)/b12-8+/t21-,26?/m0/s1 | 4 | |
| 275 | 46 | 43 | | | 586.267901556 | COc1ccc(C(CC(=O)NCc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H38N2O7/c1-22-9-8-13-26(37)12-5-3-4-10-24-19-29(38)32(33(40)31(24)34(41)43-22)28(23-14-16-27(42-2)17-15-23)20-30(39)36-21-25-11-6-7-18-35-25/h4,6-7,10-11,14-19,22,28,38,40H,3,5,8-9,12-13,20-21H2,1-2H3,(H,36,39)/b10-4+/t22-,28?/m0/s1 | 4 | |
| 276 | 43 | 41 | | | 553.2675672080001 | [H][C@](C)(O)CNC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C31H39NO8/c1-19(33)18-32-27(36)17-25(21-12-14-24(39-3)15-13-21)29-26(35)16-22-9-5-4-6-10-23(34)11-7-8-20(2)40-31(38)28(22)30(29)37/h5,9,12-16,19-20,25,33,35,37H,4,6-8,10-11,17-18H2,1-3H3,(H,32,36)/b9-5+/t19-,20+,25?/m1/s1 | 3 | |
| 277 | 56 | 53 | | | 735.3254760079999 | COc1ccc(OCC(O)CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C40H49NO12/c1-24-10-9-13-27(42)12-8-6-7-11-25-18-32(44)37(38(46)36(25)40(47)53-24)31(26-19-33(49-3)39(51-5)34(20-26)50-4)21-35(45)41-22-28(43)23-52-30-16-14-29(48-2)15-17-30/h7,11,14-20,24,28,31,43-44,46H,6,8-10,12-13,21-23H2,1-5H3,(H,41,45)/b11-7+/t24-,28?,31?/m0/s1 | 4 | |
| 278 | 50 | 46 | | | 624.2835516199998 | COc1ccc(C(CC(=O)NCc2cccc3[nH]ccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H40N2O7/c1-23-8-6-12-27(40)11-5-3-4-9-25-20-32(41)35(36(43)34(25)37(44)46-23)30(24-14-16-28(45-2)17-15-24)21-33(42)39-22-26-10-7-13-31-29(26)18-19-38-31/h4,7,9-10,13-20,23,30,38,41,43H,3,5-6,8,11-12,21-22H2,1-2H3,(H,39,42)/b9-4+/t23-,30?/m0/s1 | 5 | |
| 279 | 52 | 48 | | | 668.2556226199999 | COc1ccc(C(CC(=O)NCc2cccc(-c3nccs3)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H40N2O7S/c1-24-8-6-13-29(41)12-5-3-4-10-27-21-32(42)35(36(44)34(27)38(45)47-24)31(26-14-16-30(46-2)17-15-26)22-33(43)40-23-25-9-7-11-28(20-25)37-39-18-19-48-37/h4,7,9-11,14-21,24,31,42,44H,3,5-6,8,12-13,22-23H2,1-2H3,(H,40,43)/b10-4+/t24-,31?/m0/s1 | 5 | |
| 280 | 47 | 44 | | | 600.28355162 | COc1ccc(C(CC(=O)NCCc2ccncc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H40N2O7/c1-23-7-6-10-27(38)9-5-3-4-8-26-21-30(39)33(34(41)32(26)35(42)44-23)29(25-11-13-28(43-2)14-12-25)22-31(40)37-20-17-24-15-18-36-19-16-24/h4,8,11-16,18-19,21,23,29,39,41H,3,5-7,9-10,17,20,22H2,1-2H3,(H,37,40)/b8-4+/t23-,29?/m0/s1 | 4 | |
| 281 | 54 | 51 | | | 704.2945102279998 | COc1ccc(C(CC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H44N2O11/c1-23-9-8-12-27(41)11-7-5-6-10-26-19-31(42)36(37(44)35(26)38(45)51-23)29(24-13-15-28(48-2)16-14-24)21-34(43)39-18-17-25-20-32(49-3)33(50-4)22-30(25)40(46)47/h6,10,13-16,19-20,22-23,29,42,44H,5,7-9,11-12,17-18,21H2,1-4H3,(H,39,43)/b10-6+/t23-,29?/m0/s1 | 4 | |
| 282 | 53 | 49 | | | 693.2720009559998 | COc1cc(C(CC(=O)NCc2cn3c(n2)SCC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H43N3O9S/c1-21-9-8-12-25(40)11-7-5-6-10-22-15-27(41)32(33(43)31(22)35(44)48-21)26(23-16-28(45-2)34(47-4)29(17-23)46-3)18-30(42)37-19-24-20-39-13-14-49-36(39)38-24/h6,10,15-17,20-21,26,41,43H,5,7-9,11-14,18-19H2,1-4H3,(H,37,42)/b10-6+/t21-,26?/m0/s1 | 5 | |
| 283 | 57 | 53 | | | 727.3104946399998 | COc1cc(C(CC(=O)NCCn2cnc3ccccc3c2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H45N3O10/c1-24-11-10-14-27(44)13-7-5-6-12-25-19-31(45)36(37(47)35(25)40(49)53-24)29(26-20-32(50-2)38(52-4)33(21-26)51-3)22-34(46)41-17-18-43-23-42-30-16-9-8-15-28(30)39(43)48/h6,8-9,12,15-16,19-21,23-24,29,45,47H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,41,46)/b12-6+/t24-,29?/m0/s1 | 5 | |
| 284 | 62 | 57 | | | 788.3520251040001 | COc1cc(C(CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H52N2O12/c1-24-11-10-14-27(46)13-9-7-8-12-25-17-32(47)37(38(49)36(25)43(50)57-24)29(26-18-33(51-3)41(54-6)34(19-26)52-4)20-35(48)44-21-30-28-15-16-45(2)22-31(28)39(53-5)42-40(30)55-23-56-42/h8,12,17-19,24,29,47,49H,7,9-11,13-16,20-23H2,1-6H3,(H,44,48)/b12-8+/t24-,29?/m0/s1 | 6 | |
| 285 | 53 | 49 | | | 668.2846142399999 | COc1ccc(C(CC(=O)NCCc2nc(-c3cccnc3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H40N4O8/c1-23-8-6-12-27(42)11-5-3-4-9-25-20-30(43)34(35(45)33(25)37(46)48-23)29(24-13-15-28(47-2)16-14-24)21-31(44)39-19-17-32-40-36(41-49-32)26-10-7-18-38-22-26/h4,7,9-10,13-16,18,20,22-23,29,43,45H,3,5-6,8,11-12,17,19,21H2,1-2H3,(H,39,44)/b9-4+/t23-,29?/m0/s1 | 5 | |
| 286 | 53 | 50 | | | 691.2992612599998 | COc1cc(C(CC(=O)NCC(O)c2cccc(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO11/c1-22-10-8-14-26(40)13-7-5-6-11-24-17-29(42)35(36(45)34(24)38(46)50-22)28(25-18-31(47-2)37(49-4)32(19-25)48-3)20-33(44)39-21-30(43)23-12-9-15-27(41)16-23/h6,9,11-12,15-19,22,28,30,41-43,45H,5,7-8,10,13-14,20-21H2,1-4H3,(H,39,44)/b11-6+/t22-,28?,30?/m0/s1 | 4 | |
| 287 | 64 | 59 | | | 781.3938303399999 | [H][C@]12CN(C(=O)C(CC(C)C)NC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C45H55N3O9/c1-27(2)20-36(44(54)47-24-29-21-32(26-47)37-14-9-15-40(52)48(37)25-29)46-39(51)23-35(30-16-18-34(56-4)19-17-30)42-38(50)22-31-11-6-5-7-12-33(49)13-8-10-28(3)57-45(55)41(31)43(42)53/h6,9,11,14-19,22,27-29,32,35-36,50,53H,5,7-8,10,12-13,20-21,23-26H2,1-4H3,(H,46,51)/b11-6+/t28-,29+,32-,35?,36?/m0/s1 | 6 | |
| 288 | 56 | 52 | | | 706.3829313079999 | [H][C@]12CCCCN1CCC[C@H]2CNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C40H54N2O9/c1-25-12-10-16-29(43)15-7-5-6-13-26-20-32(44)37(38(46)36(26)40(47)51-25)30(28-21-33(48-2)39(50-4)34(22-28)49-3)23-35(45)41-24-27-14-11-19-42-18-9-8-17-31(27)42/h6,13,20-22,25,27,30-31,44,46H,5,7-12,14-19,23-24H2,1-4H3,(H,41,45)/b13-6+/t25-,27-,30?,31+/m0/s1 | 5 | |
| 289 | 52 | 49 | | | 675.3043466399998 | COc1cc(C(CC(=O)NCCc2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO10/c1-23-9-8-12-27(40)11-7-5-6-10-25-19-30(42)35(36(44)34(25)38(45)49-23)29(26-20-31(46-2)37(48-4)32(21-26)47-3)22-33(43)39-18-17-24-13-15-28(41)16-14-24/h6,10,13-16,19-21,23,29,41-42,44H,5,7-9,11-12,17-18,22H2,1-4H3,(H,39,43)/b10-6+/t23-,29?/m0/s1 | 4 | |
| 290 | 62 | 57 | | | 782.327541672 | COc1cc(C(CC(=O)NCCn2ccc3c(cnc4nc(C)nn43)c2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H46N6O10/c1-23-10-9-13-27(48)12-8-6-7-11-25-18-31(49)36(37(51)35(25)40(53)57-23)28(26-19-32(54-3)38(56-5)33(20-26)55-4)21-34(50)42-15-17-46-16-14-30-29(39(46)52)22-43-41-44-24(2)45-47(30)41/h7,11,14,16,18-20,22-23,28,49,51H,6,8-10,12-13,15,17,21H2,1-5H3,(H,42,50)/b11-7+/t23-,28?/m0/s1 | 6 | |
| 291 | 51 | 48 | | | 663.3043466399998 | COc1cc(C(CC(=O)NCCCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H45NO10/c1-23-11-8-14-26(39)13-7-5-6-12-24-19-29(40)34(35(42)33(24)37(43)48-23)28(22-32(41)38-17-9-15-27-16-10-18-47-27)25-20-30(44-2)36(46-4)31(21-25)45-3/h6,10,12,16,18-21,23,28,40,42H,5,7-9,11,13-15,17,22H2,1-4H3,(H,38,41)/b12-6+/t23-,28?/m0/s1 | 4 | |
| 292 | 61 | 57 | | | 786.3476084199999 | COCc1n[nH]c(C(NC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)c2ccc(OC)cc2)n1 | | InChI=1S/C42H50N4O11/c1-24-11-10-14-28(47)13-9-7-8-12-26-19-31(48)37(39(50)36(26)42(51)57-24)30(27-20-32(54-4)40(56-6)33(21-27)55-5)22-35(49)44-38(25-15-17-29(53-3)18-16-25)41-43-34(23-52-2)45-46-41/h8,12,15-21,24,30,38,48,50H,7,9-11,13-14,22-23H2,1-6H3,(H,44,49)(H,43,45,46)/b12-8+/t24-,30?,38?/m0/s1 | 5 | |
| 293 | 68 | 63 | | | 841.414959708 | [H][C@]12CN(C(=O)CCCCCNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C47H59N3O11/c1-29-13-11-16-34(51)15-8-5-7-14-31-22-37(52)44(45(56)43(31)47(57)61-29)35(32-23-38(58-2)46(60-4)39(24-32)59-3)25-40(53)48-20-10-6-9-18-41(54)49-26-30-21-33(28-49)36-17-12-19-42(55)50(36)27-30/h7,12,14,17,19,22-24,29-30,33,35,52,56H,5-6,8-11,13,15-16,18,20-21,25-28H2,1-4H3,(H,48,53)/b14-7+/t29-,30+,33-,35?/m0/s1 | 6 | |
| 294 | 47 | 45 | | | 626.3203310519999 | COc1cc(C(CC(=O)NCCN(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H46N2O9/c1-21-11-10-14-24(37)13-9-7-8-12-22-17-26(38)31(32(40)30(22)34(41)45-21)25(20-29(39)35-15-16-36(2)3)23-18-27(42-4)33(44-6)28(19-23)43-5/h8,12,17-19,21,25,38,40H,7,9-11,13-16,20H2,1-6H3,(H,35,39)/b12-8+/t21-,25?/m0/s1 | 3 | |
| 295 | 41 | 39 | | | 533.24135246 | C#CCNC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C31H35NO7/c1-4-17-32-27(35)19-25(21-13-15-24(38-3)16-14-21)29-26(34)18-22-10-6-5-7-11-23(33)12-8-9-20(2)39-31(37)28(22)30(29)36/h1,6,10,13-16,18,20,25,34,36H,5,7-9,11-12,17,19H2,2-3H3,(H,32,35)/b10-6+/t20-,25?/m0/s1 | 3 | |
| 296 | 54 | 50 | | | 689.2836111959998 | COc1cc(C(CC(=O)NCc2ccc3c(c2)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H43NO11/c1-22-9-8-12-26(40)11-7-5-6-10-24-16-28(41)35(36(43)34(24)38(44)50-22)27(25-17-31(45-2)37(47-4)32(18-25)46-3)19-33(42)39-20-23-13-14-29-30(15-23)49-21-48-29/h6,10,13-18,22,27,41,43H,5,7-9,11-12,19-21H2,1-4H3,(H,39,42)/b10-6+/t22-,27?/m0/s1 | 5 | |
| 297 | 56 | 52 | | | 717.2897591959999 | COc1cc(C(CC(=O)NCCc2nc(-c3ccco3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H43N3O11/c1-22-10-8-13-25(42)12-7-5-6-11-23-18-27(43)34(35(45)33(23)38(46)51-22)26(24-19-29(47-2)36(49-4)30(20-24)48-3)21-31(44)39-16-15-32-40-37(41-52-32)28-14-9-17-50-28/h6,9,11,14,17-20,22,26,43,45H,5,7-8,10,12-13,15-16,21H2,1-4H3,(H,39,44)/b11-6+/t22-,26?/m0/s1 | 5 | |
| 298 | 58 | 54 | | | 742.3577791799999 | COc1cc(C(CC(=O)NCCCCCc2nnc3ccccn23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H50N4O9/c1-26-14-13-17-29(46)16-8-5-7-15-27-22-31(47)38(39(49)37(27)41(50)54-26)30(28-23-32(51-2)40(53-4)33(24-28)52-3)25-36(48)42-20-11-6-9-18-34-43-44-35-19-10-12-21-45(34)35/h7,10,12,15,19,21-24,26,30,47,49H,5-6,8-9,11,13-14,16-18,20,25H2,1-4H3,(H,42,48)/b15-7+/t26-,30?/m0/s1 | 5 | |
| 299 | 58 | 54 | | | 759.3189511479998 | COc1cc(C(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H49N3O9S/c1-24-12-11-15-27(45)14-8-6-7-13-25-20-32(46)37(38(48)36(25)41(49)53-24)28(26-21-33(50-2)39(52-4)34(22-26)51-3)23-35(47)42-31(18-19-54-5)40-43-29-16-9-10-17-30(29)44-40/h7,9-10,13,16-17,20-22,24,28,31,46,48H,6,8,11-12,14-15,18-19,23H2,1-5H3,(H,42,47)(H,43,44)/b13-7+/t24-,28?,31-/m0/s1 | 5 | |
| 300 | 57 | 54 | | | 746.3050749119999 | COC(=O)c1ccc(NC(=O)CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C40H46N2O12/c1-23-10-9-13-28(43)12-8-6-7-11-25-18-30(44)36(37(47)35(25)40(49)54-23)29(26-19-31(50-2)38(52-4)32(20-26)51-3)21-33(45)41-22-34(46)42-27-16-14-24(15-17-27)39(48)53-5/h7,11,14-20,23,29,44,47H,6,8-10,12-13,21-22H2,1-5H3,(H,41,45)(H,42,46)/b11-7+/t23-,29?/m0/s1 | 4 | |
| 301 | 50 | 47 | | | 714.1900409279999 | COc1cc(C(CC(=O)NCc2nc(Br)n[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H39BrN4O9/c1-18-9-8-12-21(39)11-7-5-6-10-19-13-23(40)29(30(42)28(19)32(43)47-18)22(16-27(41)35-17-26-36-33(34)38-37-26)20-14-24(44-2)31(46-4)25(15-20)45-3/h6,10,13-15,18,22,40,42H,5,7-9,11-12,16-17H2,1-4H3,(H,35,41)(H,36,37,38)/b10-6+/t18-,22?/m0/s1 | 4 | |
| 302 | 64 | 59 | | | 785.3523594520001 | [H][C@]12CN(C(=O)CNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C43H51N3O11/c1-25-10-8-13-30(47)12-7-5-6-11-27-17-33(48)40(41(52)39(27)43(53)57-25)31(28-18-34(54-2)42(56-4)35(19-28)55-3)20-36(49)44-21-38(51)45-22-26-16-29(24-45)32-14-9-15-37(50)46(32)23-26/h6,9,11,14-15,17-19,25-26,29,31,48,52H,5,7-8,10,12-13,16,20-24H2,1-4H3,(H,44,49)/b11-6+/t25-,26+,29-,31?/m0/s1 | 6 | |
| 303 | 50 | 47 | | | 649.2999299559998 | COc1cc(C(CC(=O)NCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H43N3O9/c1-22-9-8-12-25(39)11-7-5-6-10-23-17-27(40)32(33(42)31(23)35(43)47-22)26(20-30(41)37-14-16-38-15-13-36-21-38)24-18-28(44-2)34(46-4)29(19-24)45-3/h6,10,13,15,17-19,21-22,26,40,42H,5,7-9,11-12,14,16,20H2,1-4H3,(H,37,41)/b10-6+/t22-,26?/m0/s1 | 4 | |
| 304 | 51 | 48 | | | 659.3094320199999 | COc1ccc(C(CC(=O)NCCc2ccc(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H45NO9/c1-24-9-8-12-28(40)11-7-5-6-10-27-22-31(41)36(37(43)35(27)38(44)48-24)30(26-14-16-29(45-2)17-15-26)23-34(42)39-20-19-25-13-18-32(46-3)33(21-25)47-4/h6,10,13-18,21-22,24,30,41,43H,5,7-9,11-12,19-20,23H2,1-4H3,(H,39,42)/b10-6+/t24-,30?/m0/s1 | 4 | |
| 305 | 45 | 42 | | | 575.2519171439999 | COc1ccc(C(CC(=O)NCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H37NO8/c1-21-8-6-11-24(35)10-5-3-4-9-23-18-28(36)31(32(38)30(23)33(39)42-21)27(22-13-15-25(40-2)16-14-22)19-29(37)34-20-26-12-7-17-41-26/h4,7,9,12-18,21,27,36,38H,3,5-6,8,10-11,19-20H2,1-2H3,(H,34,37)/b9-4+/t21-,27?/m0/s1 | 4 | |
| 306 | 50 | 47 | | | 649.2999299559998 | COc1cc(C(CC(=O)NCCc2c[nH]cn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H43N3O9/c1-21-9-8-12-25(39)11-7-5-6-10-22-15-27(40)32(33(42)31(22)35(43)47-21)26(18-30(41)37-14-13-24-19-36-20-38-24)23-16-28(44-2)34(46-4)29(17-23)45-3/h6,10,15-17,19-21,26,40,42H,5,7-9,11-14,18H2,1-4H3,(H,36,38)(H,37,41)/b10-6+/t21-,26?/m0/s1 | 4 | |
| 307 | 62 | 57 | | | 788.352025104 | COc1cc(C(CC(=O)NCC2c3c(cc4c(c3OC)OCO4)CCN2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H52N2O12/c1-24-11-10-14-28(46)13-9-7-8-12-25-17-31(47)38(39(49)37(25)43(50)57-24)29(27-19-32(51-3)40(53-5)33(20-27)52-4)21-35(48)44-22-30-36-26(15-16-45(30)2)18-34-41(42(36)54-6)56-23-55-34/h8,12,17-20,24,29-30,47,49H,7,9-11,13-16,21-23H2,1-6H3,(H,44,48)/b12-8+/t24-,29?,30?/m0/s1 | 6 | |
| 308 | 50 | 47 | | | 647.2842798919999 | COc1ccc(C(CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H41N3O9/c1-21-9-8-12-25(39)11-7-5-6-10-23-17-28(40)32(33(43)31(23)34(44)47-21)27(22-13-15-26(46-4)16-14-22)19-29(41)36-20-24-18-30(42)38(3)35(45)37(24)2/h6,10,13-18,21,27,40,43H,5,7-9,11-12,19-20H2,1-4H3,(H,36,41)/b10-6+/t21-,27?/m0/s1 | 4 | |
| 309 | 47 | 44 | | | 608.3097663679999 | COc1ccc(C(CC(=O)NCCN2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H44N2O8/c1-23-7-6-10-26(37)9-5-3-4-8-25-21-29(38)32(33(40)31(25)34(41)44-23)28(24-11-13-27(42-2)14-12-24)22-30(39)35-15-16-36-17-19-43-20-18-36/h4,8,11-14,21,23,28,38,40H,3,5-7,9-10,15-20,22H2,1-2H3,(H,35,39)/b8-4+/t23-,28?/m0/s1 | 4 | |
| 310 | 59 | 56 | | | 778.34252304 | COc1cc(C(CC(=O)N[C@@H](C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H50N4O12/c1-22-12-11-15-27(45)14-10-8-9-13-24-16-29(46)35(36(49)34(24)39(51)56-22)28(25-17-30(53-5)37(55-7)31(18-25)54-6)20-32(47)42-23(2)38(50)41-21-26-19-33(48)44(4)40(52)43(26)3/h9,13,16-19,22-23,28,46,49H,8,10-12,14-15,20-21H2,1-7H3,(H,41,50)(H,42,47)/b13-9+/t22-,23-,28?/m0/s1 | 4 | |
| 311 | 47 | 44 | | | 603.2944506519998 | COc1ccc(C(CC(=O)NCc2c(C)n[nH]c2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H41N3O7/c1-20-9-8-12-25(38)11-7-5-6-10-24-17-29(39)32(33(41)31(24)34(42)44-20)27(23-13-15-26(43-4)16-14-23)18-30(40)35-19-28-21(2)36-37-22(28)3/h6,10,13-17,20,27,39,41H,5,7-9,11-12,18-19H2,1-4H3,(H,35,40)(H,36,37)/b10-6+/t20-,27?/m0/s1 | 4 | |
| 312 | 66 | 61 | | | 813.38365958 | [H][C@]12CN(C(=O)CCCNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C45H55N3O11/c1-27-11-8-14-32(49)13-7-5-6-12-29-20-35(50)42(43(54)41(29)45(55)59-27)33(30-21-36(56-2)44(58-4)37(22-30)57-3)23-38(51)46-18-10-17-39(52)47-24-28-19-31(26-47)34-15-9-16-40(53)48(34)25-28/h6,9,12,15-16,20-22,27-28,31,33,50,54H,5,7-8,10-11,13-14,17-19,23-26H2,1-4H3,(H,46,51)/b12-6+/t27-,28+,31-,33?/m0/s1 | 6 | |
| 313 | 54 | 51 | | | 708.3621958639998 | COc1cc(C(CC(=O)NCCCN2CCCCCC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H52N2O10/c1-25-13-11-16-28(42)15-8-5-7-14-26-21-30(43)36(37(46)35(26)39(47)51-25)29(27-22-31(48-2)38(50-4)32(23-27)49-3)24-33(44)40-18-12-20-41-19-10-6-9-17-34(41)45/h7,14,21-23,25,29,43,46H,5-6,8-13,15-20,24H2,1-4H3,(H,40,44)/b14-7+/t25-,29?/m0/s1 | 4 | |
| 314 | 53 | 50 | | | 692.2945102279998 | COc1cc(C(CC(=O)NCC(=O)NCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H44N2O11/c1-22-10-8-13-25(40)12-7-5-6-11-23-16-28(41)34(35(44)33(23)37(45)50-22)27(24-17-29(46-2)36(48-4)30(18-24)47-3)19-31(42)39-21-32(43)38-20-26-14-9-15-49-26/h6,9,11,14-18,22,27,41,44H,5,7-8,10,12-13,19-21H2,1-4H3,(H,38,43)(H,39,42)/b11-6+/t22-,27?/m0/s1 | 4 | |
| 315 | 59 | 54 | | | 739.3468801479999 | COc1ccc(C(CC(=O)N[C@@H](C)C(=O)N2CC3C[C@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C42H49N3O9/c1-25-9-7-12-31(46)11-6-4-5-10-29-20-35(47)39(40(50)38(29)42(52)54-25)33(28-15-17-32(53-3)18-16-28)21-36(48)43-26(2)41(51)44-22-27-19-30(24-44)34-13-8-14-37(49)45(34)23-27/h5,8,10,13-18,20,25-27,30,33,47,50H,4,6-7,9,11-12,19,21-24H2,1-3H3,(H,43,48)/b10-5+/t25-,26-,27?,30+,33?/m0/s1 | 6 | |
| 316 | 55 | 51 | | | 703.2992612599999 | COc1cc(C(CC(=O)NCC2COc3ccccc3O2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45NO11/c1-23-11-10-14-26(41)13-7-5-6-12-24-17-29(42)36(37(44)35(24)39(45)50-23)28(25-18-32(46-2)38(48-4)33(19-25)47-3)20-34(43)40-21-27-22-49-30-15-8-9-16-31(30)51-27/h6,8-9,12,15-19,23,27-28,42,44H,5,7,10-11,13-14,20-22H2,1-4H3,(H,40,43)/b12-6+/t23-,27?,28?/m0/s1 | 5 | |
| 317 | 46 | 43 | | | 589.2788005879999 | COc1ccc(C(CC(=O)NCc2c[nH]nc2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H39N3O7/c1-20-8-7-11-25(37)10-6-4-5-9-23-16-28(38)31(32(40)30(23)33(41)43-20)27(22-12-14-26(42-3)15-13-22)17-29(39)34-18-24-19-35-36-21(24)2/h5,9,12-16,19-20,27,38,40H,4,6-8,10-11,17-18H2,1-3H3,(H,34,39)(H,35,36)/b9-5+/t20-,27?/m0/s1 | 4 | |
| 318 | 58 | 54 | | | 741.3261447039998 | COc1ccc(C(CC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H47N3O10/c1-24-10-9-13-28(45)12-8-6-7-11-27-20-33(46)38(39(48)37(27)41(50)54-24)30(26-14-16-29(51-3)17-15-26)22-36(47)42-18-19-44-25(2)43-32-23-35(53-5)34(52-4)21-31(32)40(44)49/h7,11,14-17,20-21,23-24,30,46,48H,6,8-10,12-13,18-19,22H2,1-5H3,(H,42,47)/b11-7+/t24-,30?/m0/s1 | 5 | |
| 319 | 53 | 50 | | | 709.2669155759999 | COc1cc(C(CC(=O)NCCC(=O)Nc2nccs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H43N3O10S/c1-21-9-8-12-24(40)11-7-5-6-10-22-17-26(41)32(33(44)31(22)35(45)49-21)25(23-18-27(46-2)34(48-4)28(19-23)47-3)20-30(43)37-14-13-29(42)39-36-38-15-16-50-36/h6,10,15-19,21,25,41,44H,5,7-9,11-14,20H2,1-4H3,(H,37,43)(H,38,39,42)/b10-6+/t21-,25?/m0/s1 | 4 | |
| 320 | 58 | 54 | | | 740.3421291159999 | COc1cc(C(CC(=O)NC2CCN(c3ncccc3C#N)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N4O9/c1-25-10-8-14-30(46)13-7-5-6-11-26-20-32(47)37(38(49)36(26)41(50)54-25)31(28-21-33(51-2)39(53-4)34(22-28)52-3)23-35(48)44-29-15-18-45(19-16-29)40-27(24-42)12-9-17-43-40/h6,9,11-12,17,20-22,25,29,31,47,49H,5,7-8,10,13-16,18-19,23H2,1-4H3,(H,44,48)/b11-6+/t25-,31?/m0/s1 | 5 | |
| 321 | 58 | 53 | | | 729.3876823399997 | COc1cc(C(CC(=O)N[C@H]2C3CCCC2C2=C(CCCC2)C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H55NO9/c1-25-12-10-17-30(45)16-7-5-6-14-27-21-34(46)39(41(48)38(27)43(49)53-25)33(29-22-35(50-2)42(52-4)36(23-29)51-3)24-37(47)44-40-28-15-11-19-32(40)31-18-9-8-13-26(31)20-28/h6,14,21-23,25,28,32-33,40,46,48H,5,7-13,15-20,24H2,1-4H3,(H,44,47)/b14-6+/t25-,28?,32?,33?,40-/m0/s1 | 6 | |
| 322 | 53 | 50 | | | 716.2978813559998 | COc1cc(C(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H48N2O11S/c1-22-10-9-13-26(39)12-8-6-7-11-23-18-28(40)33(34(42)32(23)36(43)49-22)27(24-19-29(46-2)35(48-4)30(20-24)47-3)21-31(41)37-25-14-16-38(17-15-25)50(5,44)45/h7,11,18-20,22,25,27,40,42H,6,8-10,12-17,21H2,1-5H3,(H,37,41)/b11-7+/t22-,27?/m0/s1 | 4 | |
| 323 | 51 | 48 | | | 668.3308957359998 | COc1cc(C(CC(=O)NCCN2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H48N2O10/c1-23-9-8-12-26(39)11-7-5-6-10-24-19-28(40)33(34(42)32(24)36(43)48-23)27(22-31(41)37-13-14-38-15-17-47-18-16-38)25-20-29(44-2)35(46-4)30(21-25)45-3/h6,10,19-21,23,27,40,42H,5,7-9,11-18,22H2,1-4H3,(H,37,41)/b10-6+/t23-,27?/m0/s1 | 4 | |
| 324 | 62 | 57 | | | 753.3625302119999 | [H][C@]12CN(C(=O)CCCNC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C43H51N3O9/c1-27-9-6-12-32(47)11-5-3-4-10-30-22-36(48)41(42(52)40(30)43(53)55-27)34(29-16-18-33(54-2)19-17-29)23-37(49)44-20-8-15-38(50)45-24-28-21-31(26-45)35-13-7-14-39(51)46(35)25-28/h4,7,10,13-14,16-19,22,27-28,31,34,48,52H,3,5-6,8-9,11-12,15,20-21,23-26H2,1-2H3,(H,44,49)/b10-4+/t27-,28+,31-,34?/m0/s1 | 6 | |
| 325 | 51 | 47 | | | 638.299201684 | COc1ccc(C(CC(=O)NCCc2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H42N2O7/c1-24-9-8-12-28(41)11-5-3-4-10-26-21-33(42)36(37(44)35(26)38(45)47-24)31(25-15-17-29(46-2)18-16-25)22-34(43)39-20-19-27-23-40-32-14-7-6-13-30(27)32/h4,6-7,10,13-18,21,23-24,31,40,42,44H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,43)/b10-4+/t24-,31?/m0/s1 | 5 | |
| 326 | 48 | 45 | | | 613.303952716 | COc1ccc(C(CC(=O)NCCCc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H43NO7/c1-25-11-9-17-29(39)16-8-4-7-15-28-23-32(40)35(36(42)34(28)37(43)45-25)31(27-18-20-30(44-2)21-19-27)24-33(41)38-22-10-14-26-12-5-3-6-13-26/h3,5-7,12-13,15,18-21,23,25,31,40,42H,4,8-11,14,16-17,22,24H2,1-2H3,(H,38,41)/b15-7+/t25-,31?/m0/s1 | 4 | |
| 327 | 47 | 44 | | | 620.2556226199999 | COc1ccc(C(CC(=O)NCCc2nc(C)cs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H40N2O7S/c1-21-20-44-30(36-21)16-17-35-29(39)19-27(23-12-14-26(42-3)15-13-23)32-28(38)18-24-9-5-4-6-10-25(37)11-7-8-22(2)43-34(41)31(24)33(32)40/h5,9,12-15,18,20,22,27,38,40H,4,6-8,10-11,16-17,19H2,1-3H3,(H,35,39)/b9-5+/t22-,27?/m0/s1 | 4 | |
| 328 | 54 | 51 | | | 702.3152456719998 | COc1cc(C(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H46N2O10/c1-23-12-11-17-27(42)16-10-6-9-15-25-19-30(43)35(36(45)34(25)39(47)51-23)28(26-20-31(48-2)37(50-4)32(21-26)49-3)22-33(44)41-29(38(40)46)18-24-13-7-5-8-14-24/h5,7-9,13-15,19-21,23,28-29,43,45H,6,10-12,16-18,22H2,1-4H3,(H2,40,46)(H,41,44)/b15-9+/t23-,28?,29-/m0/s1 | 4 | |
| 329 | 50 | 47 | | | 651.2904278919998 | COc1cc(C(CC(=O)NCc2n[nH]c(N)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H41N5O9/c1-18-9-8-12-21(39)11-7-5-6-10-19-13-23(40)29(30(42)28(19)32(43)47-18)22(16-27(41)35-17-26-36-33(34)38-37-26)20-14-24(44-2)31(46-4)25(15-20)45-3/h6,10,13-15,18,22,40,42H,5,7-9,11-12,16-17H2,1-4H3,(H,35,41)(H3,34,36,37,38)/b10-6+/t18-,22?/m0/s1 | 4 | |
| 330 | 49 | 46 | | | 631.2781318919999 | COc1ccc(C(CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO9/c1-22-7-6-10-26(38)9-5-3-4-8-25-20-31(41)34(35(43)33(25)36(44)46-22)28(24-12-14-27(45-2)15-13-24)21-32(42)37-18-17-23-11-16-29(39)30(40)19-23/h4,8,11-16,19-20,22,28,39-41,43H,3,5-7,9-10,17-18,21H2,1-2H3,(H,37,42)/b8-4+/t22-,28?/m0/s1 | 4 | |
| 331 | 52 | 49 | | | 673.3250820839999 | COc1cc(C(CC(=O)NCCCc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H47NO9/c1-25-13-11-19-29(41)18-10-6-9-17-27-21-31(42)36(37(44)35(27)39(45)49-25)30(28-22-32(46-2)38(48-4)33(23-28)47-3)24-34(43)40-20-12-16-26-14-7-5-8-15-26/h5,7-9,14-15,17,21-23,25,30,42,44H,6,10-13,16,18-20,24H2,1-4H3,(H,40,43)/b17-9+/t25-,30?/m0/s1 | 4 | |
| 332 | 54 | 50 | | | 684.304680988 | COc1ccc(C(CC(=O)NCCC2C(=O)Nc3ccc(OC)cc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H44N2O9/c1-23-8-7-11-26(42)10-6-4-5-9-25-20-33(43)36(37(45)35(25)39(47)50-23)30(24-12-14-27(48-2)15-13-24)22-34(44)40-19-18-29-31-21-28(49-3)16-17-32(31)41-38(29)46/h5,9,12-17,20-21,23,29-30,43,45H,4,6-8,10-11,18-19,22H2,1-3H3,(H,40,44)(H,41,46)/b9-5+/t23-,29?,30?/m0/s1 | 5 | |
| 333 | 58 | 55 | | | 759.3367093879999 | COc1cc(C(CC(=O)NCCC(=O)Nc2ccc(NC(C)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H49N3O11/c1-24-10-9-13-30(46)12-8-6-7-11-26-20-32(47)38(39(50)37(26)41(51)55-24)31(27-21-33(52-3)40(54-5)34(22-27)53-4)23-36(49)42-19-18-35(48)44-29-16-14-28(15-17-29)43-25(2)45/h7,11,14-17,20-22,24,31,47,50H,6,8-10,12-13,18-19,23H2,1-5H3,(H,42,49)(H,43,45)(H,44,48)/b11-7+/t24-,31?/m0/s1 | 4 | |
| 334 | 49 | 46 | | | 632.2733808599999 | COc1ccc(C(CC(=O)NCC(=O)NCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H40N2O9/c1-22-8-6-11-25(38)10-5-3-4-9-24-18-29(39)33(34(42)32(24)35(43)46-22)28(23-13-15-26(44-2)16-14-23)19-30(40)37-21-31(41)36-20-27-12-7-17-45-27/h4,7,9,12-18,22,28,39,42H,3,5-6,8,10-11,19-21H2,1-2H3,(H,36,41)(H,37,40)/b9-4+/t22-,28?/m0/s1 | 4 | |
| 335 | 55 | 51 | | | 698.3203310519999 | COc1cc(C(CC(=O)NCCc2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H46N2O9/c1-24-11-10-14-28(43)13-7-5-6-12-25-19-32(44)37(38(46)36(25)40(47)51-24)30(27-20-33(48-2)39(50-4)34(21-27)49-3)22-35(45)41-18-17-26-23-42-31-16-9-8-15-29(26)31/h6,8-9,12,15-16,19-21,23-24,30,42,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,41,45)/b12-6+/t24-,30?/m0/s1 | 5 | |
| 336 | 57 | 53 | | | 729.3261447039998 | COc1cc(C(CC(=O)NCCn2c(CO)nc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H47N3O10/c1-24-11-10-14-27(45)13-7-5-6-12-25-19-31(46)37(38(48)36(25)40(49)53-24)28(26-20-32(50-2)39(52-4)33(21-26)51-3)22-35(47)41-17-18-43-30-16-9-8-15-29(30)42-34(43)23-44/h6,8-9,12,15-16,19-21,24,28,44,46,48H,5,7,10-11,13-14,17-18,22-23H2,1-4H3,(H,41,47)/b12-6+/t24-,28?/m0/s1 | 5 | |
| 337 | 53 | 50 | | | 709.3033010839997 | COc1cc(C(CC(=O)NCCSCc2[nH]cnc2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H47N3O9S/c1-22-10-9-13-26(41)12-8-6-7-11-24-16-29(42)34(35(44)33(24)37(45)49-22)27(25-17-30(46-3)36(48-5)31(18-25)47-4)19-32(43)38-14-15-50-20-28-23(2)39-21-40-28/h7,11,16-18,21-22,27,42,44H,6,8-10,12-15,19-20H2,1-5H3,(H,38,43)(H,39,40)/b11-7+/t22-,27?/m0/s1 | 4 | |
| 338 | 47 | 44 | | | 600.28355162 | COc1ccc(C(CC(=O)NCCc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H40N2O7/c1-23-9-8-13-27(38)12-5-3-4-10-25-21-30(39)33(34(41)32(25)35(42)44-23)29(24-14-16-28(43-2)17-15-24)22-31(40)37-20-18-26-11-6-7-19-36-26/h4,6-7,10-11,14-17,19,21,23,29,39,41H,3,5,8-9,12-13,18,20,22H2,1-2H3,(H,37,40)/b10-4+/t23-,29?/m0/s1 | 4 | |
| 339 | 55 | 51 | | | 695.3206653999998 | CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C40H45N3O8/c1-24-10-9-13-28(44)12-6-4-5-11-26-21-34(45)37(38(47)36(26)40(49)51-24)31(25-16-18-29(50-3)19-17-25)22-35(46)43-33(39(48)41-2)20-27-23-42-32-15-8-7-14-30(27)32/h5,7-8,11,14-19,21,23-24,31,33,42,45,47H,4,6,9-10,12-13,20,22H2,1-3H3,(H,41,48)(H,43,46)/b11-5+/t24-,31?,33+/m0/s1 | 5 | |
| 340 | 48 | 45 | | | 615.283217272 | COc1ccc(C(CC(=O)NCCc2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO8/c1-23-7-6-10-27(38)9-5-3-4-8-26-21-31(40)34(35(42)33(26)36(43)45-23)30(25-13-17-29(44-2)18-14-25)22-32(41)37-20-19-24-11-15-28(39)16-12-24/h4,8,11-18,21,23,30,39-40,42H,3,5-7,9-10,19-20,22H2,1-2H3,(H,37,41)/b8-4+/t23-,30?/m0/s1 | 4 | |
| 341 | 60 | 56 | | | 788.3091147359999 | COc1cc(C(CC(=O)NC(CCSC)c2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N4O10S/c1-24-12-11-15-27(46)14-8-6-7-13-25-20-31(47)36(37(49)35(25)41(50)54-24)28(26-21-32(51-2)38(53-4)33(22-26)52-3)23-34(48)43-30(17-19-56-5)40-44-39(45-55-40)29-16-9-10-18-42-29/h7,9-10,13,16,18,20-22,24,28,30,47,49H,6,8,11-12,14-15,17,19,23H2,1-5H3,(H,43,48)/b13-7+/t24-,28?,30?/m0/s1 | 5 | |
| 342 | 50 | 47 | | | 651.2791945119998 | COc1cc(C(CC(=O)NCc2nc(C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H41N3O10/c1-19-10-9-13-23(38)12-8-6-7-11-21-14-25(39)31(32(41)30(21)34(42)46-19)24(17-28(40)35-18-29-36-20(2)37-47-29)22-15-26(43-3)33(45-5)27(16-22)44-4/h7,11,14-16,19,24,39,41H,6,8-10,12-13,17-18H2,1-5H3,(H,35,40)/b11-7+/t19-,24?/m0/s1 | 4 | |
| 343 | 52 | 49 | | | 680.3308957359998 | COc1cc(C(CC(=O)NC2CCN(C(C)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H48N2O10/c1-22-10-9-13-27(41)12-8-6-7-11-24-18-29(42)34(35(44)33(24)37(45)49-22)28(25-19-30(46-3)36(48-5)31(20-25)47-4)21-32(43)38-26-14-16-39(17-15-26)23(2)40/h7,11,18-20,22,26,28,42,44H,6,8-10,12-17,21H2,1-5H3,(H,38,43)/b11-7+/t22-,28?/m0/s1 | 4 | |
| 344 | 47 | 44 | | | 629.2294674479997 | COc1ccc(C(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C32H39NO10S/c1-19-7-6-10-22(34)9-5-3-4-8-21-15-26(35)30(31(38)29(21)32(39)43-19)24(20-11-13-23(42-2)14-12-20)16-28(37)33-25-17-44(40,41)18-27(25)36/h4,8,11-15,19,24-25,27,35-36,38H,3,5-7,9-10,16-18H2,1-2H3,(H,33,37)/b8-4+/t19-,24?,25-,27+/m0/s1 | 4 | |
| 345 | 56 | 52 | | | 714.315245672 | COc1cc(C(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H46N2O10/c1-23-9-8-12-27(43)11-7-5-6-10-24-17-32(45)37(38(47)36(24)40(48)52-23)30(26-18-33(49-2)39(51-4)34(19-26)50-3)21-35(46)41-16-15-25-22-42-31-14-13-28(44)20-29(25)31/h6,10,13-14,17-20,22-23,30,42,44-45,47H,5,7-9,11-12,15-16,21H2,1-4H3,(H,41,46)/b10-6+/t23-,30?/m0/s1 | 5 | |
| 346 | 55 | 52 | | | 718.3213936719999 | COc1ccc(C(CC(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H46N4O10/c1-23-9-8-12-27(43)11-7-5-6-10-25-19-30(44)35(36(48)34(25)37(49)52-23)29(24-13-15-28(51-4)16-14-24)21-32(46)39-18-17-31(45)40-22-26-20-33(47)42(3)38(50)41(26)2/h6,10,13-16,19-20,23,29,44,48H,5,7-9,11-12,17-18,21-22H2,1-4H3,(H,39,46)(H,40,45)/b10-6+/t23-,29?/m0/s1 | 4 | |
| 347 | 55 | 51 | | | 698.3203310519999 | COc1cc(C(CC(=O)NCCn2ccc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H46N2O9/c1-25-11-10-15-29(43)14-7-5-6-13-27-21-32(44)37(38(46)36(27)40(47)51-25)30(28-22-33(48-2)39(50-4)34(23-28)49-3)24-35(45)41-18-20-42-19-17-26-12-8-9-16-31(26)42/h6,8-9,12-13,16-17,19,21-23,25,30,44,46H,5,7,10-11,14-15,18,20,24H2,1-4H3,(H,41,45)/b13-6+/t25-,30?/m0/s1 | 5 | |
| 348 | 52 | 48 | | | 653.310100716 | COc1ccc(C(CC(=O)NCCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H43N3O7/c1-24-10-8-13-27(42)12-5-3-4-11-26-22-32(43)36(37(45)35(26)38(46)48-24)29(25-17-19-28(47-2)20-18-25)23-34(44)39-21-9-16-33-40-30-14-6-7-15-31(30)41-33/h4,6-7,11,14-15,17-20,22,24,29,43,45H,3,5,8-10,12-13,16,21,23H2,1-2H3,(H,39,44)(H,40,41)/b11-4+/t24-,29?/m0/s1 | 5 | |
| 349 | 53 | 49 | | | 682.271272684 | COc1ccc(C(CC(=O)NCc2cccc(-c3nc(C)cs3)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H42N2O7S/c1-24-23-49-38(41-24)29-12-8-10-26(19-29)22-40-34(44)21-32(27-15-17-31(47-3)18-16-27)36-33(43)20-28-11-5-4-6-13-30(42)14-7-9-25(2)48-39(46)35(28)37(36)45/h5,8,10-12,15-20,23,25,32,43,45H,4,6-7,9,13-14,21-22H2,1-3H3,(H,40,44)/b11-5+/t25-,32?/m0/s1 | 5 | |
| 350 | 64 | 59 | | | 781.3938303399999 | [H][C@]12CN(C(=O)C(NC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C(C)CC)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C45H55N3O9/c1-5-27(2)42(44(54)47-24-29-21-32(26-47)36-15-10-16-39(52)48(36)25-29)46-38(51)23-35(30-17-19-34(56-4)20-18-30)41-37(50)22-31-12-7-6-8-13-33(49)14-9-11-28(3)57-45(55)40(31)43(41)53/h7,10,12,15-20,22,27-29,32,35,42,50,53H,5-6,8-9,11,13-14,21,23-26H2,1-4H3,(H,46,51)/b12-7+/t27?,28-,29+,32-,35?,42?/m0/s1 | 6 | |
| 351 | 55 | 52 | | | 717.3261447039998 | COc1cc(C(CC(=O)NCCCC(=O)Nc2cccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H47N3O10/c1-24-11-8-15-28(43)14-7-5-6-12-25-19-30(44)36(37(47)35(25)39(48)52-24)29(26-20-31(49-2)38(51-4)32(21-26)50-3)22-34(46)41-18-10-16-33(45)42-27-13-9-17-40-23-27/h6,9,12-13,17,19-21,23-24,29,44,47H,5,7-8,10-11,14-16,18,22H2,1-4H3,(H,41,46)(H,42,45)/b12-6+/t24-,29?/m0/s1 | 4 | |
| 352 | 62 | 58 | | | 801.3472740719999 | COc1cc2nc(C)n(CCNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(=O)c2cc1OC | | InChI=1S/C43H51N3O12/c1-24-12-11-15-28(47)14-10-8-9-13-26-18-32(48)39(40(50)38(26)43(52)58-24)29(27-19-35(55-5)41(57-7)36(20-27)56-6)22-37(49)44-16-17-46-25(2)45-31-23-34(54-4)33(53-3)21-30(31)42(46)51/h9,13,18-21,23-24,29,48,50H,8,10-12,14-17,22H2,1-7H3,(H,44,49)/b13-9+/t24-,29?/m0/s1 | 5 | |
| 353 | 50 | 47 | | | 643.2893652719999 | COc1ccc(C(CC(=O)NCCNC(=O)c2ccncc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41N3O8/c1-23-7-6-10-27(40)9-5-3-4-8-26-21-30(41)33(34(43)32(26)36(45)47-23)29(24-11-13-28(46-2)14-12-24)22-31(42)38-19-20-39-35(44)25-15-17-37-18-16-25/h4,8,11-18,21,23,29,41,43H,3,5-7,9-10,19-20,22H2,1-2H3,(H,38,42)(H,39,44)/b8-4+/t23-,29?/m0/s1 | 4 | |
| 354 | 43 | 41 | | | 566.262816176 | COc1ccc(C(CC(=O)N[C@@H](C)C(N)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H38N2O8/c1-18-8-7-11-22(34)10-6-4-5-9-21-16-25(35)28(29(37)27(21)31(39)41-18)24(17-26(36)33-19(2)30(32)38)20-12-14-23(40-3)15-13-20/h5,9,12-16,18-19,24,35,37H,4,6-8,10-11,17H2,1-3H3,(H2,32,38)(H,33,36)/b9-5+/t18-,19-,24?/m0/s1 | 3 | |
| 355 | 56 | 52 | | | 714.3152456719998 | COc1cc(C(CC(=O)NC2CCc3ccccc3N=C2O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H46N2O10/c1-23-11-10-15-27(43)14-7-5-6-13-25-19-31(44)36(37(46)35(25)40(48)52-23)28(26-20-32(49-2)38(51-4)33(21-26)50-3)22-34(45)41-30-18-17-24-12-8-9-16-29(24)42-39(30)47/h6,8-9,12-13,16,19-21,23,28,30,44,46H,5,7,10-11,14-15,17-18,22H2,1-4H3,(H,41,45)(H,42,47)/b13-6+/t23-,28?,30?/m0/s1 | 5 | |
| 356 | 54 | 51 | | | 701.2948445759997 | COc1cc(C(CC(=O)NCCOc2ncccc2C#N)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H43N3O10/c1-23-10-8-14-27(42)13-7-5-6-11-24-18-29(43)34(35(45)33(24)38(46)51-23)28(26-19-30(47-2)36(49-4)31(20-26)48-3)21-32(44)40-16-17-50-37-25(22-39)12-9-15-41-37/h6,9,11-12,15,18-20,23,28,43,45H,5,7-8,10,13-14,16-17,21H2,1-4H3,(H,40,44)/b11-6+/t23-,28?/m0/s1 | 4 | |
| 357 | 58 | 54 | | | 743.3054092599998 | COc1cc(C(CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H45N3O11/c1-23-11-10-14-26(44)13-7-5-6-12-24-19-30(45)35(36(47)34(24)40(50)54-23)27(25-20-31(51-2)37(53-4)32(21-25)52-3)22-33(46)41-17-18-43-29-16-9-8-15-28(29)42-38(48)39(43)49/h6,8-9,12,15-16,19-21,23,27,45,47H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,41,46)(H,42,48)/b12-6+/t23-,27?/m0/s1 | 5 | |
| 358 | 53 | 50 | | | 693.2785258159997 | COC(=O)c1ccc(CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)o1 | | InChI=1S/C37H43NO12/c1-21-10-9-13-24(39)12-8-6-7-11-22-16-27(40)33(34(42)32(22)37(44)49-21)26(23-17-29(45-2)35(47-4)30(18-23)46-3)19-31(41)38-20-25-14-15-28(50-25)36(43)48-5/h7,11,14-18,21,26,40,42H,6,8-10,12-13,19-20H2,1-5H3,(H,38,41)/b11-7+/t21-,26?/m0/s1 | 4 | |
| 359 | 54 | 51 | | | 699.31558002 | COc1ccc(C(CC(=O)NCCC(=O)Nc2ccc(NC(C)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H45N3O9/c1-24-8-7-11-30(44)10-6-4-5-9-27-22-33(45)37(38(48)36(27)39(49)51-24)32(26-12-18-31(50-3)19-13-26)23-35(47)40-21-20-34(46)42-29-16-14-28(15-17-29)41-25(2)43/h5,9,12-19,22,24,32,45,48H,4,6-8,10-11,20-21,23H2,1-3H3,(H,40,47)(H,41,43)(H,42,46)/b9-5+/t24-,32?/m0/s1 | 4 | |
| 360 | 50 | 47 | | | 649.2999299559998 | COc1cc(C(CC(=O)NCCn2cccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H43N3O9/c1-22-10-8-13-25(39)12-7-5-6-11-23-18-27(40)32(33(42)31(23)35(43)47-22)26(21-30(41)36-15-17-38-16-9-14-37-38)24-19-28(44-2)34(46-4)29(20-24)45-3/h6,9,11,14,16,18-20,22,26,40,42H,5,7-8,10,12-13,15,17,21H2,1-4H3,(H,36,41)/b11-6+/t22-,26?/m0/s1 | 4 | |
| 361 | 66 | 61 | | | 835.334995136 | [H][C@]12CN(S(=O)(=O)CCNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C43H53N3O12S/c1-26-10-8-13-31(47)12-7-5-6-11-28-19-34(48)40(41(51)39(28)43(52)58-26)32(29-20-35(55-2)42(57-4)36(21-29)56-3)22-37(49)44-16-17-59(53,54)45-23-27-18-30(25-45)33-14-9-15-38(50)46(33)24-27/h6,9,11,14-15,19-21,26-27,30,32,48,51H,5,7-8,10,12-13,16-18,22-25H2,1-4H3,(H,44,49)/b11-6+/t26-,27+,30-,32?/m0/s1 | 6 | |
| 362 | 55 | 51 | | | 699.3155800199999 | COc1cc(C(CC(=O)NCCc2cn3ccccc3n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-24-11-10-14-28(43)13-7-5-6-12-25-19-30(44)36(37(46)35(25)39(47)51-24)29(26-20-31(48-2)38(50-4)32(21-26)49-3)22-34(45)40-17-16-27-23-42-18-9-8-15-33(42)41-27/h6,8-9,12,15,18-21,23-24,29,44,46H,5,7,10-11,13-14,16-17,22H2,1-4H3,(H,40,45)/b12-6+/t24-,29?/m0/s1 | 5 | |
| 363 | 51 | 48 | | | 659.3094320199999 | COc1cc(C(CC(=O)N[C@@H](C)c2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO9/c1-23-13-12-18-28(40)17-11-7-10-16-26-19-30(41)35(36(43)34(26)38(44)48-23)29(22-33(42)39-24(2)25-14-8-6-9-15-25)27-20-31(45-3)37(47-5)32(21-27)46-4/h6,8-10,14-16,19-21,23-24,29,41,43H,7,11-13,17-18,22H2,1-5H3,(H,39,42)/b16-10+/t23-,24-,29?/m0/s1 | 4 | |
| 364 | 53 | 50 | | | 689.2948445759997 | COc1cc(C(CC(=O)NCC(=O)Nc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H43N3O10/c1-22-11-10-14-25(41)13-7-5-6-12-23-17-27(42)34(35(45)33(23)37(46)50-22)26(24-18-28(47-2)36(49-4)29(19-24)48-3)20-31(43)39-21-32(44)40-30-15-8-9-16-38-30/h6,8-9,12,15-19,22,26,42,45H,5,7,10-11,13-14,20-21H2,1-4H3,(H,39,43)(H,38,40,44)/b12-6+/t22-,26?/m0/s1 | 4 | |
| 365 | 48 | 45 | | | 615.283217272 | COc1ccc(CNC(=O)CC(c2ccc(OC)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO8/c1-23-8-7-11-27(38)10-6-4-5-9-26-20-31(39)34(35(41)33(26)36(42)45-23)30(25-14-18-29(44-3)19-15-25)21-32(40)37-22-24-12-16-28(43-2)17-13-24/h5,9,12-20,23,30,39,41H,4,6-8,10-11,21-22H2,1-3H3,(H,37,40)/b9-5+/t23-,30?/m0/s1 | 4 | |
| 366 | 68 | 62 | | | 815.3781802759999 | [H][C@]12CN(C(=O)C(Cc3ccccc3)NC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C48H53N3O9/c1-30-11-9-16-36(52)15-8-4-7-14-34-25-41(53)45(46(56)44(34)48(58)60-30)38(33-19-21-37(59-2)22-20-33)26-42(54)49-39(24-31-12-5-3-6-13-31)47(57)50-27-32-23-35(29-50)40-17-10-18-43(55)51(40)28-32/h3,5-7,10,12-14,17-22,25,30,32,35,38-39,53,56H,4,8-9,11,15-16,23-24,26-29H2,1-2H3,(H,49,54)/b14-7+/t30-,32+,35-,38?,39?/m0/s1 | 7 | |
| 367 | 68 | 63 | | | 841.4149597080001 | [H][C@]12CN(C(=O)C(NC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C(C)CC)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C47H59N3O11/c1-7-27(2)43(46(56)49-24-29-19-32(26-49)35-17-12-18-40(54)50(35)25-29)48-39(53)23-34(31-21-37(58-4)45(60-6)38(22-31)59-5)42-36(52)20-30-14-9-8-10-15-33(51)16-11-13-28(3)61-47(57)41(30)44(42)55/h9,12,14,17-18,20-22,27-29,32,34,43,52,55H,7-8,10-11,13,15-16,19,23-26H2,1-6H3,(H,48,53)/b14-9+/t27?,28-,29+,32-,34?,43?/m0/s1 | 6 | |
| 368 | 52 | 48 | | | 654.294116304 | COc1ccc(C(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H42N2O8/c1-23-7-6-10-27(41)9-5-3-4-8-25-19-33(43)36(37(45)35(25)38(46)48-23)31(24-11-14-29(47-2)15-12-24)21-34(44)39-18-17-26-22-40-32-16-13-28(42)20-30(26)32/h4,8,11-16,19-20,22-23,31,40,42-43,45H,3,5-7,9-10,17-18,21H2,1-2H3,(H,39,44)/b8-4+/t23-,31?/m0/s1 | 5 | |
| 369 | 55 | 52 | | | 707.2941758799999 | [H][C@](O)(CNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc(O)c(O)c1 | | InChI=1S/C38H45NO12/c1-21-9-8-12-25(40)11-7-5-6-10-23-16-29(43)35(36(46)34(23)38(47)51-21)26(24-17-31(48-2)37(50-4)32(18-24)49-3)19-33(45)39-20-30(44)22-13-14-27(41)28(42)15-22/h6,10,13-18,21,26,30,41-44,46H,5,7-9,11-12,19-20H2,1-4H3,(H,39,45)/b10-6+/t21-,26?,30-/m0/s1 | 4 | |
| 370 | 49 | 46 | | | 631.2781318919999 | COc1ccc(C(CC(=O)NCC(O)c2cccc(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO9/c1-22-8-6-12-26(38)11-5-3-4-9-25-19-30(40)34(35(43)33(25)36(44)46-22)29(23-14-16-28(45-2)17-15-23)20-32(42)37-21-31(41)24-10-7-13-27(39)18-24/h4,7,9-10,13-19,22,29,31,39-41,43H,3,5-6,8,11-12,20-21H2,1-2H3,(H,37,42)/b9-4+/t22-,29?,31?/m0/s1 | 4 | |
| 371 | 44 | 42 | | | 583.2781318919999 | COc1ccc(C(CC(=O)NCC(OC)OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C32H41NO9/c1-20-9-8-12-23(34)11-7-5-6-10-22-17-26(35)30(31(37)29(22)32(38)42-20)25(21-13-15-24(39-2)16-14-21)18-27(36)33-19-28(40-3)41-4/h6,10,13-17,20,25,28,35,37H,5,7-9,11-12,18-19H2,1-4H3,(H,33,36)/b10-6+/t20-,25?/m0/s1 | 3 | |
| 372 | 47 | 45 | | | 626.2839455439998 | COc1cc(C(CC(=O)N[C@@H](C)C(N)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H42N2O10/c1-18-10-9-13-22(36)12-8-6-7-11-20-14-24(37)29(30(39)28(20)33(41)45-18)23(17-27(38)35-19(2)32(34)40)21-15-25(42-3)31(44-5)26(16-21)43-4/h7,11,14-16,18-19,23,37,39H,6,8-10,12-13,17H2,1-5H3,(H2,34,40)(H,35,38)/b11-7+/t18-,19-,23?/m0/s1 | 3 | |
| 373 | 47 | 45 | | | 613.2886965759999 | [H][C@](C)(O)CNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C33H43NO10/c1-19(35)18-34-28(38)17-24(22-15-26(41-3)32(43-5)27(16-22)42-4)30-25(37)14-21-11-7-6-8-12-23(36)13-9-10-20(2)44-33(40)29(21)31(30)39/h7,11,14-16,19-20,24,35,37,39H,6,8-10,12-13,17-18H2,1-5H3,(H,34,38)/b11-7+/t19-,20+,24?/m1/s1 | 3 | |
| 374 | 46 | 44 | | | 608.3097663679999 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(N)=O | | InChI=1S/C34H44N2O8/c1-5-20(2)31(33(35)41)36-28(39)19-26(22-14-16-25(43-4)17-15-22)30-27(38)18-23-11-7-6-8-12-24(37)13-9-10-21(3)44-34(42)29(23)32(30)40/h7,11,14-18,20-21,26,31,38,40H,5-6,8-10,12-13,19H2,1-4H3,(H2,35,41)(H,36,39)/b11-7+/t20-,21-,26?,31-/m0/s1 | 3 | |
| 375 | 58 | 55 | | | 764.3632584839999 | COc1cc(C(CC(=O)NCCC(=O)NCCc2nc(C(C)C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H52N4O11/c1-23(2)39-43-34(55-44-39)16-18-41-32(47)15-17-42-33(48)22-28(26-20-30(51-4)38(53-6)31(21-26)52-5)36-29(46)19-25-12-8-7-9-13-27(45)14-10-11-24(3)54-40(50)35(25)37(36)49/h8,12,19-21,23-24,28,46,49H,7,9-11,13-18,22H2,1-6H3,(H,41,47)(H,42,48)/b12-8+/t24-,28?/m0/s1 | 4 | |
| 376 | 56 | 53 | | | 732.3258103559998 | COc1ccc(CNC(=O)CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C40H48N2O11/c1-24-10-9-13-28(43)12-8-6-7-11-26-18-31(44)37(38(47)36(26)40(48)53-24)30(27-19-32(50-3)39(52-5)33(20-27)51-4)21-34(45)42-23-35(46)41-22-25-14-16-29(49-2)17-15-25/h7,11,14-20,24,30,44,47H,6,8-10,12-13,21-23H2,1-5H3,(H,41,46)(H,42,45)/b11-7+/t24-,30?/m0/s1 | 4 | |
| 377 | 63 | 58 | | | 796.3683438639999 | COc1cc(C(CC(=O)NC2CCN(Cc3nc(O)c4ccccc4n3)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C44H52N4O10/c1-26-11-10-14-30(49)13-7-5-6-12-27-21-34(50)40(41(52)39(27)44(54)58-26)32(28-22-35(55-2)42(57-4)36(23-28)56-3)24-38(51)45-29-17-19-48(20-18-29)25-37-46-33-16-9-8-15-31(33)43(53)47-37/h6,8-9,12,15-16,21-23,26,29,32,50,52H,5,7,10-11,13-14,17-20,24-25H2,1-4H3,(H,45,51)(H,46,47,53)/b12-6+/t26-,32?/m0/s1 | 6 | |
| 378 | 48 | 46 | | | 643.2992612599998 | COc1cc(C(CC(=O)NCC(OC)OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H45NO11/c1-20-11-10-14-23(36)13-9-7-8-12-21-15-25(37)31(32(39)30(21)34(40)46-20)24(18-28(38)35-19-29(43-4)44-5)22-16-26(41-2)33(45-6)27(17-22)42-3/h8,12,15-17,20,24,29,37,39H,7,9-11,13-14,18-19H2,1-6H3,(H,35,38)/b12-8+/t20-,24?/m0/s1 | 3 | |
| 379 | 51 | 48 | | | 666.3152456719998 | COc1cc(C(CC(=O)NCCN2CCCC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H46N2O10/c1-22-10-8-13-25(39)12-7-5-6-11-23-18-27(40)33(34(43)32(23)36(44)48-22)26(21-30(41)37-15-17-38-16-9-14-31(38)42)24-19-28(45-2)35(47-4)29(20-24)46-3/h6,11,18-20,22,26,40,43H,5,7-10,12-17,21H2,1-4H3,(H,37,41)/b11-6+/t22-,26?/m0/s1 | 4 | |
| 380 | 56 | 53 | | | 736.3319583559999 | COc1cc(C(CC(=O)NCC(=O)NCc2nc(C(C)C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H48N4O11/c1-21(2)37-41-32(53-42-37)20-40-31(46)19-39-30(45)18-26(24-16-28(49-4)36(51-6)29(17-24)50-5)34-27(44)15-23-12-8-7-9-13-25(43)14-10-11-22(3)52-38(48)33(23)35(34)47/h8,12,15-17,21-22,26,44,47H,7,9-11,13-14,18-20H2,1-6H3,(H,39,45)(H,40,46)/b12-8+/t22-,26?/m0/s1 | 4 | |
| 381 | 63 | 58 | | | 797.3887449599999 | COc1cc(C(CC(=O)NC2CCN(C3CCc4ccccc4N=C3O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C45H55N3O10/c1-27-11-10-15-32(49)14-7-5-6-13-29-23-36(50)41(42(52)40(29)45(54)58-27)33(30-24-37(55-2)43(57-4)38(25-30)56-3)26-39(51)46-31-19-21-48(22-20-31)35-18-17-28-12-8-9-16-34(28)47-44(35)53/h6,8-9,12-13,16,23-25,27,31,33,35,50,52H,5,7,10-11,14-15,17-22,26H2,1-4H3,(H,46,51)(H,47,53)/b13-6+/t27-,33?,35?/m0/s1 | 6 | |
| 382 | 51 | 48 | | | 689.2505968159998 | COc1cc(C(CC(=O)NC2CS(=O)(=O)CC2O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H43NO12S/c1-19-9-8-12-22(36)11-7-5-6-10-20-13-25(37)31(32(40)30(20)34(41)47-19)23(16-29(39)35-24-17-48(42,43)18-26(24)38)21-14-27(44-2)33(46-4)28(15-21)45-3/h6,10,13-15,19,23-24,26,37-38,40H,5,7-9,11-12,16-18H2,1-4H3,(H,35,39)/b10-6+/t19-,23?,24?,26?/m0/s1 | 4 | |
| 383 | 50 | 47 | | | 646.2890309239999 | COc1cc(C(CC(=O)NCc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H42N2O9/c1-22-11-10-15-26(39)14-7-5-6-12-23-17-28(40)33(34(42)32(23)36(43)47-22)27(20-31(41)38-21-25-13-8-9-16-37-25)24-18-29(44-2)35(46-4)30(19-24)45-3/h6,8-9,12-13,16-19,22,27,40,42H,5,7,10-11,14-15,20-21H2,1-4H3,(H,38,41)/b12-6+/t22-,27?/m0/s1 | 4 | |
| 384 | 50 | 47 | | | 646.2890309239999 | COc1cc(C(CC(=O)NCc2ccncc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H42N2O9/c1-22-9-8-12-26(39)11-7-5-6-10-24-17-28(40)33(34(42)32(24)36(43)47-22)27(20-31(41)38-21-23-13-15-37-16-14-23)25-18-29(44-2)35(46-4)30(19-25)45-3/h6,10,13-19,22,27,40,42H,5,7-9,11-12,20-21H2,1-4H3,(H,38,41)/b10-6+/t22-,27?/m0/s1 | 4 | |
| 385 | 56 | 52 | | | 713.3312300839998 | COc1cc(C(CC(=O)NCCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H47N3O9/c1-24-12-10-15-27(44)14-7-5-6-13-25-20-31(45)37(38(47)36(25)40(48)52-24)28(26-21-32(49-2)39(51-4)33(22-26)50-3)23-35(46)41-19-11-18-34-42-29-16-8-9-17-30(29)43-34/h6,8-9,13,16-17,20-22,24,28,45,47H,5,7,10-12,14-15,18-19,23H2,1-4H3,(H,41,46)(H,42,43)/b13-6+/t24-,28?/m0/s1 | 5 | |
| 386 | 60 | 55 | | | 754.3465458 | COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C43H50N2O10/c1-24-11-9-14-27(46)13-8-6-7-12-25-19-34(47)39(41(49)38(25)43(50)55-24)30(26-20-35(52-3)42(54-5)36(21-26)53-4)23-37(48)44-33-16-10-15-29-31-22-28(51-2)17-18-32(31)45-40(29)33/h7,12,17-22,24,30,33,45,47,49H,6,8-11,13-16,23H2,1-5H3,(H,44,48)/b12-7+/t24-,30?,33?/m0/s1 | 6 | |
| 387 | 52 | 49 | | | 675.3043466399998 | COc1ccc(CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H45NO10/c1-23-10-9-13-27(40)12-8-6-7-11-25-18-30(41)35(36(43)34(25)38(44)49-23)29(26-19-31(46-3)37(48-5)32(20-26)47-4)21-33(42)39-22-24-14-16-28(45-2)17-15-24/h7,11,14-20,23,29,41,43H,6,8-10,12-13,21-22H2,1-5H3,(H,39,42)/b11-7+/t23-,29?/m0/s1 | 4 | |
| 388 | 45 | 43 | | | 594.2577307959999 | COc1cc(C(CC(=O)NCC#N)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C32H38N2O9/c1-19-9-8-12-22(35)11-7-5-6-10-20-15-24(36)29(30(38)28(20)32(39)43-19)23(18-27(37)34-14-13-33)21-16-25(40-2)31(42-4)26(17-21)41-3/h6,10,15-17,19,23,36,38H,5,7-9,11-12,14,18H2,1-4H3,(H,34,37)/b10-6+/t19-,23?/m0/s1 | 3 | |
| 389 | 58 | 54 | | | 743.3054092599999 | COc1cc(C(CC(=O)NCCc2nnc(-c3ccccc3O)o2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H45N3O11/c1-23-11-10-14-26(44)13-7-5-6-12-24-19-30(46)36(37(48)35(24)40(49)53-23)28(25-20-31(50-2)38(52-4)32(21-25)51-3)22-33(47)41-18-17-34-42-43-39(54-34)27-15-8-9-16-29(27)45/h6,8-9,12,15-16,19-21,23,28,45-46,48H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,41,47)/b12-6+/t23-,28?/m0/s1 | 5 | |
| 390 | 65 | 60 | | | 799.3680095159999 | [H][C@]12CN(C(=O)CCNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H53N3O11/c1-26-10-8-13-31(48)12-7-5-6-11-28-19-34(49)41(42(53)40(28)44(54)58-26)32(29-20-35(55-2)43(57-4)36(21-29)56-3)22-37(50)45-17-16-38(51)46-23-27-18-30(25-46)33-14-9-15-39(52)47(33)24-27/h6,9,11,14-15,19-21,26-27,30,32,49,53H,5,7-8,10,12-13,16-18,22-25H2,1-4H3,(H,45,50)/b11-6+/t26-,27+,30-,32?/m0/s1 | 6 | |
| 391 | 61 | 56 | | | 739.3468801479999 | [H][C@]12CN(C(=O)CCNC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C42H49N3O9/c1-26-8-6-11-31(46)10-5-3-4-9-29-21-35(47)40(41(51)39(29)42(52)54-26)33(28-14-16-32(53-2)17-15-28)22-36(48)43-19-18-37(49)44-23-27-20-30(25-44)34-12-7-13-38(50)45(34)24-27/h4,7,9,12-17,21,26-27,30,33,47,51H,3,5-6,8,10-11,18-20,22-25H2,1-2H3,(H,43,48)/b9-4+/t26-,27+,30-,33?/m0/s1 | 6 | |
| 392 | 52 | 49 | | | 676.3108289879998 | COc1cc(C(CC(=O)NCCNc2ncccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H44N4O9/c1-22-10-8-13-25(41)12-7-5-6-11-23-18-27(42)32(33(44)31(23)35(45)49-22)26(24-19-28(46-2)34(48-4)29(20-24)47-3)21-30(43)37-16-17-40-36-38-14-9-15-39-36/h6,9,11,14-15,18-20,22,26,42,44H,5,7-8,10,12-13,16-17,21H2,1-4H3,(H,37,43)(H,38,39,40)/b11-6+/t22-,26?/m0/s1 | 4 | |
| 393 | 53 | 49 | | | 668.3097663679998 | COc1ccc(C(CC(=O)NCC(=O)N2CCc3ccccc3C2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H44N2O8/c1-25-9-8-14-30(42)13-5-3-4-11-28-21-33(43)37(38(46)36(28)39(47)49-25)32(27-15-17-31(48-2)18-16-27)22-34(44)40-23-35(45)41-20-19-26-10-6-7-12-29(26)24-41/h4,6-7,10-12,15-18,21,25,32,43,46H,3,5,8-9,13-14,19-20,22-24H2,1-2H3,(H,40,44)/b11-4+/t25-,32?/m0/s1 | 5 | |
| 394 | 54 | 50 | | | 681.3050153359999 | COc1ccc(C(CC(=O)NCCNC(=O)c2cc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H43N3O8/c1-24-9-8-13-28(43)12-5-3-4-11-27-22-33(44)36(37(46)35(27)39(48)50-24)30(25-15-17-29(49-2)18-16-25)23-34(45)40-19-20-41-38(47)32-21-26-10-6-7-14-31(26)42-32/h4,6-7,10-11,14-18,21-22,24,30,42,44,46H,3,5,8-9,12-13,19-20,23H2,1-2H3,(H,40,45)(H,41,47)/b11-4+/t24-,30?/m0/s1 | 5 | |
| 395 | 52 | 48 | | | 664.3359811159997 | COc1cc(C(CC(=O)NC2CN3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H48N2O9/c1-22-9-8-12-26(40)11-7-5-6-10-24-17-29(41)34(35(43)33(24)37(44)48-22)27(25-18-30(45-2)36(47-4)31(19-25)46-3)20-32(42)38-28-21-39-15-13-23(28)14-16-39/h6,10,17-19,22-23,27-28,41,43H,5,7-9,11-16,20-21H2,1-4H3,(H,38,42)/b10-6+/t22-,27?,28?/m0/s1 | 6 | |
| 396 | 61 | 56 | | | 757.3727009719998 | COc1ccc(C(CC(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C46H51N3O7/c1-29-11-10-14-34(50)13-7-5-6-12-32-25-41(51)44(45(53)43(32)46(54)56-29)37(30-19-23-35(55-4)24-20-30)26-42(52)48-27-38(31-17-21-33(22-18-31)49(2)3)39-28-47-40-16-9-8-15-36(39)40/h6,8-9,12,15-25,28-29,37-38,47,51,53H,5,7,10-11,13-14,26-27H2,1-4H3,(H,48,52)/b12-6+/t29-,37?,38?/m0/s1 | 6 | |
| 397 | 56 | 53 | | | 731.3054092599999 | COc1cc(C(CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O11/c1-22-9-8-12-27(43)11-7-5-6-10-24-17-29(44)35(36(47)34(24)39(49)53-22)28(25-18-30(50-2)37(52-4)31(19-25)51-3)20-32(45)41-21-33(46)42-26-15-13-23(14-16-26)38(40)48/h6,10,13-19,22,28,44,47H,5,7-9,11-12,20-21H2,1-4H3,(H2,40,48)(H,41,45)(H,42,46)/b10-6+/t22-,28?/m0/s1 | 4 | |
| 398 | 54 | 51 | | | 689.3199967039999 | [H][C@](CO)(Cc1ccccc1)NC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C39H47NO10/c1-24-12-11-17-29(42)16-10-6-9-15-26-19-31(43)36(37(45)35(26)39(46)50-24)30(27-20-32(47-2)38(49-4)33(21-27)48-3)22-34(44)40-28(23-41)18-25-13-7-5-8-14-25/h5,7-9,13-15,19-21,24,28,30,41,43,45H,6,10-12,16-18,22-23H2,1-4H3,(H,40,44)/b15-9+/t24-,28+,30?/m0/s1 | 4 | |
| 399 | 55 | 51 | | | 701.3199967039998 | COc1cc(C(CC(=O)NCC2OCCc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H47NO10/c1-24-11-10-15-28(42)14-7-5-6-13-26-19-31(43)37(38(45)36(26)40(46)51-24)30(27-20-32(47-2)39(49-4)33(21-27)48-3)22-35(44)41-23-34-29-16-9-8-12-25(29)17-18-50-34/h6,8-9,12-13,16,19-21,24,30,34,43,45H,5,7,10-11,14-15,17-18,22-23H2,1-4H3,(H,41,44)/b13-6+/t24-,30?,34?/m0/s1 | 5 | |
| 400 | 67 | 62 | | | 827.399309644 | [H][C@]12CN(C(=O)C(NC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C(C)C)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C46H57N3O11/c1-26(2)42(45(55)48-23-28-18-31(25-48)34-16-11-17-39(53)49(34)24-28)47-38(52)22-33(30-20-36(57-4)44(59-6)37(21-30)58-5)41-35(51)19-29-13-8-7-9-14-32(50)15-10-12-27(3)60-46(56)40(29)43(41)54/h8,11,13,16-17,19-21,26-28,31,33,42,51,54H,7,9-10,12,14-15,18,22-25H2,1-6H3,(H,47,52)/b13-8+/t27-,28+,31-,33?,42?/m0/s1 | 6 | |
| 401 | 54 | 51 | | | 703.3104946399998 | COc1cc(C(CC(=O)NCCC(=O)Nc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45N3O10/c1-23-11-10-14-26(42)13-7-5-6-12-24-19-28(43)35(36(46)34(24)38(47)51-23)27(25-20-29(48-2)37(50-4)30(21-25)49-3)22-33(45)40-18-16-32(44)41-31-15-8-9-17-39-31/h6,8-9,12,15,17,19-21,23,27,43,46H,5,7,10-11,13-14,16,18,22H2,1-4H3,(H,40,45)(H,39,41,44)/b12-6+/t23-,27?/m0/s1 | 4 | |
| 402 | 52 | 49 | | | 671.284279892 | COc1ccc(C(CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H41N3O9/c1-22-7-6-10-27(41)9-5-3-4-8-25-19-30(42)34(35(45)33(25)37(47)49-22)29(23-13-17-28(48-2)18-14-23)20-31(43)39-21-32(44)40-26-15-11-24(12-16-26)36(38)46/h4,8,11-19,22,29,42,45H,3,5-7,9-10,20-21H2,1-2H3,(H2,38,46)(H,39,43)(H,40,44)/b8-4+/t22-,29?/m0/s1 | 4 | |
| 403 | 64 | 59 | | | 799.3502512759999 | [H][C@]12CN(C(=O)C(CCSC)NC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H53N3O9S/c1-27-9-7-12-32(48)11-6-4-5-10-30-22-37(49)41(42(52)40(30)44(54)56-27)34(29-15-17-33(55-2)18-16-29)23-38(50)45-35(19-20-57-3)43(53)46-24-28-21-31(26-46)36-13-8-14-39(51)47(36)25-28/h5,8,10,13-18,22,27-28,31,34-35,49,52H,4,6-7,9,11-12,19-21,23-26H2,1-3H3,(H,45,50)/b10-5+/t27-,28+,31-,34?,35?/m0/s1 | 6 | |
| 404 | 55 | 51 | | | 699.3155800199999 | COc1cc(C(CC(=O)NCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-23-11-10-14-26(43)13-7-5-6-12-24-19-30(44)36(37(46)35(24)39(47)51-23)27(25-20-31(48-2)38(50-4)32(21-25)49-3)22-34(45)40-18-17-33-41-28-15-8-9-16-29(28)42-33/h6,8-9,12,15-16,19-21,23,27,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,40,45)(H,41,42)/b12-6+/t23-,27?/m0/s1 | 5 | |
| 405 | 48 | 45 | | | 616.28969962 | COc1ccc(C(CC(=O)NCCNc2ncccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H40N4O7/c1-22-8-6-11-25(39)10-5-3-4-9-24-20-28(40)31(32(42)30(24)33(43)45-22)27(23-12-14-26(44-2)15-13-23)21-29(41)35-18-19-38-34-36-16-7-17-37-34/h4,7,9,12-17,20,22,27,40,42H,3,5-6,8,10-11,18-19,21H2,1-2H3,(H,35,41)(H,36,37,38)/b9-4+/t22-,27?/m0/s1 | 4 | |
| 406 | 49 | 46 | | | 629.2737152079999 | COc1ccc(C(CC(=O)NCC(=O)Nc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H39N3O8/c1-22-9-8-12-25(39)11-5-3-4-10-24-19-28(40)33(34(43)32(24)35(44)46-22)27(23-14-16-26(45-2)17-15-23)20-30(41)37-21-31(42)38-29-13-6-7-18-36-29/h4,6-7,10,13-19,22,27,40,43H,3,5,8-9,11-12,20-21H2,1-2H3,(H,37,41)(H,36,38,42)/b10-4+/t22-,27?/m0/s1 | 4 | |
| 407 | 48 | 45 | | | 635.2301361439999 | COc1ccc(C(CC(=O)NCC(=O)Nc2nccs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H37N3O8S/c1-20-7-6-10-23(37)9-5-3-4-8-22-17-26(38)30(31(41)29(22)32(42)44-20)25(21-11-13-24(43-2)14-12-21)18-27(39)35-19-28(40)36-33-34-15-16-45-33/h4,8,11-17,20,25,38,41H,3,5-7,9-10,18-19H2,1-2H3,(H,35,39)(H,34,36,40)/b8-4+/t20-,25?/m0/s1 | 4 | |
| 408 | 61 | 57 | | | 785.4251304679999 | COc1cc(C(CC(=O)NCC(c2ccc(N(C)C)cc2)N2CCCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C45H59N3O9/c1-29-14-13-17-34(49)16-10-7-9-15-31-24-37(50)42(43(52)41(31)45(53)57-29)35(32-25-38(54-4)44(56-6)39(26-32)55-5)27-40(51)46-28-36(48-22-11-8-12-23-48)30-18-20-33(21-19-30)47(2)3/h9,15,18-21,24-26,29,35-36,50,52H,7-8,10-14,16-17,22-23,27-28H2,1-6H3,(H,46,51)/b15-9+/t29-,35?,36?/m0/s1 | 5 | |
| 409 | 52 | 49 | | | 672.3046809879999 | COc1ccc(C(CC(=O)NCCC(=O)Nc2ccccc2OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H44N2O9/c1-24-10-9-13-27(41)12-6-4-5-11-26-22-31(42)36(37(45)35(26)38(46)49-24)29(25-16-18-28(47-2)19-17-25)23-34(44)39-21-20-33(43)40-30-14-7-8-15-32(30)48-3/h5,7-8,11,14-19,22,24,29,42,45H,4,6,9-10,12-13,20-21,23H2,1-3H3,(H,39,44)(H,40,43)/b11-5+/t24-,29?/m0/s1 | 4 | |
| 410 | 51 | 48 | | | 680.2767519879998 | COc1cc(C(CC(=O)NCCc2nc(C)cs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H44N2O9S/c1-21-20-48-31(38-21)14-15-37-30(41)19-26(24-17-28(44-3)35(46-5)29(18-24)45-4)33-27(40)16-23-11-7-6-8-12-25(39)13-9-10-22(2)47-36(43)32(23)34(33)42/h7,11,16-18,20,22,26,40,42H,6,8-10,12-15,19H2,1-5H3,(H,37,41)/b11-7+/t22-,26?/m0/s1 | 4 | |
| 411 | 41 | 39 | | | 539.251917144 | COc1ccc(C(CC(=O)NCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C30H37NO8/c1-19-7-6-10-22(33)9-5-3-4-8-21-17-25(34)28(29(36)27(21)30(37)39-19)24(18-26(35)31-15-16-32)20-11-13-23(38-2)14-12-20/h4,8,11-14,17,19,24,32,34,36H,3,5-7,9-10,15-16,18H2,1-2H3,(H,31,35)/b8-4+/t19-,24?/m0/s1 | 3 | |
| 412 | 54 | 50 | | | 684.3046809879999 | COc1cc(C(CC(=O)NCc2cccc3[nH]ccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H44N2O9/c1-23-10-8-14-27(42)13-7-5-6-11-24-18-31(43)36(37(45)35(24)39(46)50-23)29(26-19-32(47-2)38(49-4)33(20-26)48-3)21-34(44)41-22-25-12-9-15-30-28(25)16-17-40-30/h6,9,11-12,15-20,23,29,40,43,45H,5,7-8,10,13-14,21-22H2,1-4H3,(H,41,44)/b11-6+/t23-,29?/m0/s1 | 5 | |
| 413 | 51 | 48 | | | 657.3050153359999 | COc1ccc(C(CC(=O)NCCNC(=O)Nc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H43N3O8/c1-24-10-9-15-28(41)14-8-3-5-11-26-22-31(42)34(35(44)33(26)36(45)48-24)30(25-16-18-29(47-2)19-17-25)23-32(43)38-20-21-39-37(46)40-27-12-6-4-7-13-27/h4-7,11-13,16-19,22,24,30,42,44H,3,8-10,14-15,20-21,23H2,1-2H3,(H,38,43)(H2,39,40,46)/b11-5+/t24-,30?/m0/s1 | 4 | |
| 414 | 63 | 58 | | | 767.3781802759999 | [H][C@]12CN(C(=O)C(NC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C(C)C)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H53N3O9/c1-26(2)41(43(53)46-23-28-20-31(25-46)35-14-9-15-38(51)47(35)24-28)45-37(50)22-34(29-16-18-33(55-4)19-17-29)40-36(49)21-30-11-6-5-7-12-32(48)13-8-10-27(3)56-44(54)39(30)42(40)52/h6,9,11,14-19,21,26-28,31,34,41,49,52H,5,7-8,10,12-13,20,22-25H2,1-4H3,(H,45,50)/b11-6+/t27-,28+,31-,34?,41?/m0/s1 | 6 | |
| 415 | 42 | 40 | | | 553.267567208 | COc1ccc(C(CC(=O)NCCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H39NO8/c1-20-8-6-11-23(34)10-5-3-4-9-22-18-26(35)29(30(37)28(22)31(38)40-20)25(19-27(36)32-16-7-17-33)21-12-14-24(39-2)15-13-21/h4,9,12-15,18,20,25,33,35,37H,3,5-8,10-11,16-17,19H2,1-2H3,(H,32,36)/b9-4+/t20-,25?/m0/s1 | 3 | |
| 416 | 61 | 56 | | | 768.3734292439999 | COc1cc(C(CC(=O)NC2CCN(Cc3nc4ccccc4[nH]3)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H52N4O9/c1-26-11-10-14-30(48)13-7-5-6-12-27-21-34(49)40(41(51)39(27)43(52)56-26)31(28-22-35(53-2)42(55-4)36(23-28)54-3)24-38(50)44-29-17-19-47(20-18-29)25-37-45-32-15-8-9-16-33(32)46-37/h6,8-9,12,15-16,21-23,26,29,31,49,51H,5,7,10-11,13-14,17-20,24-25H2,1-4H3,(H,44,50)(H,45,46)/b12-6+/t26-,31?/m0/s1 | 6 | |
| 417 | 62 | 57 | | | 782.389079308 | COc1cc(C(CC(=O)NCC2(Cc3nnc4ccccn34)CCCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C44H54N4O9/c1-28-14-13-17-31(49)16-8-5-7-15-29-22-33(50)40(41(52)39(29)43(53)57-28)32(30-23-34(54-2)42(56-4)35(24-30)55-3)25-38(51)45-27-44(19-10-6-11-20-44)26-37-47-46-36-18-9-12-21-48(36)37/h7,9,12,15,18,21-24,28,32,50,52H,5-6,8,10-11,13-14,16-17,19-20,25-27H2,1-4H3,(H,45,51)/b15-7+/t28-,32?/m0/s1 | 6 | |
| 418 | 54 | 50 | | | 699.2614362719999 | COc1ccc(C(CC(=O)NCCNC(=O)c2nc3ccccc3s2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H41N3O8S/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-30(43)34(35(45)33(25)38(47)49-23)28(24-15-17-27(48-2)18-16-24)22-32(44)39-19-20-40-36(46)37-41-29-13-6-7-14-31(29)50-37/h4,6-7,10,13-18,21,23,28,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)(H,40,46)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 419 | 54 | 51 | | | 704.2945102279998 | COc1cc(C(CC(=O)N[C@@H](C(N)=O)c2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H44N2O11/c1-21-9-8-12-25(41)11-7-5-6-10-23-17-28(43)33(35(45)32(23)38(47)51-21)27(24-18-29(48-2)36(50-4)30(19-24)49-3)20-31(44)40-34(37(39)46)22-13-15-26(42)16-14-22/h6,10,13-19,21,27,34,42-43,45H,5,7-9,11-12,20H2,1-4H3,(H2,39,46)(H,40,44)/b10-6+/t21-,27?,34+/m0/s1 | 4 | |
| 420 | 51 | 48 | | | 660.3046809879999 | COc1cc(C(CC(=O)NCCc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H44N2O9/c1-23-11-10-15-27(40)14-7-5-6-12-24-19-29(41)34(35(43)33(24)37(44)48-23)28(22-32(42)39-18-16-26-13-8-9-17-38-26)25-20-30(45-2)36(47-4)31(21-25)46-3/h6,8-9,12-13,17,19-21,23,28,41,43H,5,7,10-11,14-16,18,22H2,1-4H3,(H,39,42)/b12-6+/t23-,28?/m0/s1 | 4 | |
| 421 | 65 | 60 | | | 799.368009516 | [H][C@]12CN(C(=O)C(C)NC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H53N3O11/c1-25-11-9-14-31(48)13-8-6-7-12-28-18-34(49)40(41(52)39(28)44(54)58-25)32(29-19-35(55-3)42(57-5)36(20-29)56-4)21-37(50)45-26(2)43(53)46-22-27-17-30(24-46)33-15-10-16-38(51)47(33)23-27/h7,10,12,15-16,18-20,25-27,30,32,49,52H,6,8-9,11,13-14,17,21-24H2,1-5H3,(H,45,50)/b12-7+/t25-,26?,27+,30-,32?/m0/s1 | 6 | |
| 422 | 50 | 47 | | | 643.2893652719999 | COc1ccc(C(CC(=O)NCCC(=O)Nc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41N3O8/c1-23-9-8-12-26(40)11-5-3-4-10-25-21-29(41)34(35(44)33(25)36(45)47-23)28(24-14-16-27(46-2)17-15-24)22-32(43)38-20-18-31(42)39-30-13-6-7-19-37-30/h4,6-7,10,13-17,19,21,23,28,41,44H,3,5,8-9,11-12,18,20,22H2,1-2H3,(H,38,43)(H,37,39,42)/b10-4+/t23-,28?/m0/s1 | 4 | |
| 423 | 54 | 50 | | | 685.2999299559998 | COc1cc(C(CC(=O)NCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H43N3O9/c1-22-11-10-14-25(42)13-7-5-6-12-23-17-29(43)35(36(45)34(23)38(46)50-22)26(24-18-30(47-2)37(49-4)31(19-24)48-3)20-33(44)39-21-32-40-27-15-8-9-16-28(27)41-32/h6,8-9,12,15-19,22,26,43,45H,5,7,10-11,13-14,20-21H2,1-4H3,(H,39,44)(H,40,41)/b12-6+/t22-,26?/m0/s1 | 5 | |
| 424 | 55 | 51 | | | 700.3108289879998 | COc1cc(C(CC(=O)N[C@H](C)c2nnc3ccccn23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H44N4O9/c1-22-12-11-15-26(43)14-8-6-7-13-24-18-28(44)34(35(46)33(24)38(47)51-22)27(25-19-29(48-3)36(50-5)30(20-25)49-4)21-32(45)39-23(2)37-41-40-31-16-9-10-17-42(31)37/h7,9-10,13,16-20,22-23,27,44,46H,6,8,11-12,14-15,21H2,1-5H3,(H,39,45)/b13-7+/t22-,23+,27?/m0/s1 | 5 | |
| 425 | 55 | 51 | | | 699.3155800199999 | COc1cc(C(CC(=O)NCc2nc3ccc(C)cc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-22-14-15-28-29(16-22)42-33(41-28)21-40-34(45)20-27(25-18-31(48-3)38(50-5)32(19-25)49-4)36-30(44)17-24-11-7-6-8-12-26(43)13-9-10-23(2)51-39(47)35(24)37(36)46/h7,11,14-19,23,27,44,46H,6,8-10,12-13,20-21H2,1-5H3,(H,40,45)(H,41,42)/b11-7+/t23-,27?/m0/s1 | 5 | |
| 426 | 58 | 54 | | | 741.3625302119998 | CC[C@H](C)[C@H](NC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1nc2ccccc2[nH]1 | | InChI=1S/C42H51N3O9/c1-7-24(2)38(41-43-30-18-11-12-19-31(30)44-41)45-35(48)23-29(27-21-33(51-4)40(53-6)34(22-27)52-5)37-32(47)20-26-15-9-8-10-16-28(46)17-13-14-25(3)54-42(50)36(26)39(37)49/h9,11-12,15,18-22,24-25,29,38,47,49H,7-8,10,13-14,16-17,23H2,1-6H3,(H,43,44)(H,45,48)/b15-9+/t24-,25-,29?,38-/m0/s1 | 5 | |
| 427 | 52 | 48 | | | 656.3209997479998 | COc1ccc(C(CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H44N4O7/c1-24-8-6-11-28(42)10-5-3-4-9-26-22-31(43)34(35(45)33(26)36(46)48-24)30(25-12-14-29(47-2)15-13-25)23-32(44)40-27-16-20-41(21-17-27)37-38-18-7-19-39-37/h4,7,9,12-15,18-19,22,24,27,30,43,45H,3,5-6,8,10-11,16-17,20-21,23H2,1-2H3,(H,40,44)/b9-4+/t24-,30?/m0/s1 | 5 | |
| 428 | 64 | 59 | | | 781.3938303399999 | [H][C@]12CN(C(=O)CCCCCNC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C45H55N3O9/c1-29-11-9-14-34(49)13-6-3-5-12-32-24-38(50)43(44(54)42(32)45(55)57-29)36(31-18-20-35(56-2)21-19-31)25-39(51)46-22-8-4-7-16-40(52)47-26-30-23-33(28-47)37-15-10-17-41(53)48(37)27-30/h5,10,12,15,17-21,24,29-30,33,36,50,54H,3-4,6-9,11,13-14,16,22-23,25-28H2,1-2H3,(H,46,51)/b12-5+/t29-,30+,33-,36?/m0/s1 | 6 | |
| 429 | 44 | 42 | | | 580.27846624 | COc1ccc(C(CC(=O)NCCNC(C)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C32H40N2O8/c1-20-8-7-11-24(36)10-6-4-5-9-23-18-27(37)30(31(39)29(23)32(40)42-20)26(22-12-14-25(41-3)15-13-22)19-28(38)34-17-16-33-21(2)35/h5,9,12-15,18,20,26,37,39H,4,6-8,10-11,16-17,19H2,1-3H3,(H,33,35)(H,34,38)/b9-5+/t20-,26?/m0/s1 | 3 | |
| 430 | 68 | 63 | | | 841.4149597080001 | [H][C@]12CN(C(=O)C(CC(C)C)NC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C47H59N3O11/c1-27(2)18-35(46(56)49-24-29-19-32(26-49)36-16-11-17-41(54)50(36)25-29)48-40(53)23-34(31-21-38(58-4)45(60-6)39(22-31)59-5)43-37(52)20-30-13-8-7-9-14-33(51)15-10-12-28(3)61-47(57)42(30)44(43)55/h8,11,13,16-17,20-22,27-29,32,34-35,52,55H,7,9-10,12,14-15,18-19,23-26H2,1-6H3,(H,48,53)/b13-8+/t28-,29+,32-,34?,35?/m0/s1 | 6 | |
| 431 | 49 | 46 | | | 649.2457862079999 | COc1ccc(C(CC(=O)NCCC(=O)Nc2nccs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H39N3O8S/c1-21-7-6-10-24(38)9-5-3-4-8-23-19-27(39)31(32(42)30(23)33(43)45-21)26(22-11-13-25(44-2)14-12-22)20-29(41)35-16-15-28(40)37-34-36-17-18-46-34/h4,8,11-14,17-19,21,26,39,42H,3,5-7,9-10,15-16,20H2,1-2H3,(H,35,41)(H,36,37,40)/b8-4+/t21-,26?/m0/s1 | 4 | |
| 432 | 52 | 48 | | | 646.36180194 | [H][C@]12CCCCN1CCC[C@H]2CNC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C38H50N2O7/c1-25-10-8-14-29(41)13-5-3-4-11-27-22-33(42)36(37(44)35(27)38(45)47-25)31(26-16-18-30(46-2)19-17-26)23-34(43)39-24-28-12-9-21-40-20-7-6-15-32(28)40/h4,11,16-19,22,25,28,31-32,42,44H,3,5-10,12-15,20-21,23-24H2,1-2H3,(H,39,43)/b11-4+/t25-,28-,31?,32+/m0/s1 | 5 | |
| 433 | 58 | 54 | | | 742.3465458 | COc1ccc2c(ccn2CCCNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)c1 | | InChI=1S/C42H50N2O10/c1-26-11-9-14-30(45)13-8-6-7-12-28-22-34(46)39(40(48)38(28)42(49)54-26)32(29-23-35(51-3)41(53-5)36(24-29)52-4)25-37(47)43-18-10-19-44-20-17-27-21-31(50-2)15-16-33(27)44/h7,12,15-17,20-24,26,32,46,48H,6,8-11,13-14,18-19,25H2,1-5H3,(H,43,47)/b12-7+/t26-,32?/m0/s1 | 5 | |
| 434 | 57 | 53 | | | 728.3308957359998 | COc1cc(C(CC(=O)NCC(=O)N2CCc3ccccc3C2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N2O10/c1-25-11-10-16-30(44)15-7-5-6-13-27-19-32(45)38(39(48)37(27)41(49)53-25)31(29-20-33(50-2)40(52-4)34(21-29)51-3)22-35(46)42-23-36(47)43-18-17-26-12-8-9-14-28(26)24-43/h6,8-9,12-14,19-21,25,31,45,48H,5,7,10-11,15-18,22-24H2,1-4H3,(H,42,46)/b13-6+/t25-,31?/m0/s1 | 5 | |
| 435 | 47 | 44 | | | 603.294450652 | COc1ccc(C(CC(=O)NCCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H41N3O7/c1-23-8-6-11-26(38)10-5-3-4-9-25-20-29(39)32(33(41)31(25)34(42)44-23)28(24-12-14-27(43-2)15-13-24)21-30(40)36-16-7-18-37-19-17-35-22-37/h4,9,12-15,17,19-20,22-23,28,39,41H,3,5-8,10-11,16,18,21H2,1-2H3,(H,36,40)/b9-4+/t23-,28?/m0/s1 | 4 | |
| 436 | 57 | 53 | | | 728.3308957359999 | COc1ccc2[nH]cc(CCNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c2c1 | | InChI=1S/C41H48N2O10/c1-24-10-9-13-28(44)12-8-6-7-11-25-18-33(45)38(39(47)37(25)41(48)53-24)31(27-19-34(50-3)40(52-5)35(20-27)51-4)22-36(46)42-17-16-26-23-43-32-15-14-29(49-2)21-30(26)32/h7,11,14-15,18-21,23-24,31,43,45,47H,6,8-10,12-13,16-17,22H2,1-5H3,(H,42,46)/b11-7+/t24-,31?/m0/s1 | 5 | |
| 437 | 58 | 53 | | | 728.3308957359999 | COc1ccc(C(CC(=O)NCC2c3c(cc4c(c3OC)OCO4)CCN2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H48N2O10/c1-24-9-8-12-28(44)11-7-5-6-10-26-19-32(45)37(38(47)36(26)41(48)53-24)30(25-13-15-29(49-3)16-14-25)21-34(46)42-22-31-35-27(17-18-43(31)2)20-33-39(40(35)50-4)52-23-51-33/h6,10,13-16,19-20,24,30-31,45,47H,5,7-9,11-12,17-18,21-23H2,1-4H3,(H,42,46)/b10-6+/t24-,30?,31?/m0/s1 | 6 | |
| 438 | 46 | 43 | | | 593.298867336 | COc1ccc(C(CC(=O)N[C@H]2CC[C@H](O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H43NO8/c1-21-7-6-10-25(36)9-5-3-4-8-23-19-29(38)32(33(40)31(23)34(41)43-21)28(22-11-17-27(42-2)18-12-22)20-30(39)35-24-13-15-26(37)16-14-24/h4,8,11-12,17-19,21,24,26,28,37-38,40H,3,5-7,9-10,13-16,20H2,1-2H3,(H,35,39)/b8-4+/t21-,24-,26-,28?/m0/s1 | 4 | |
| 439 | 49 | 46 | | | 633.2573964479998 | COC(=O)c1ccc(CNC(=O)CC(c2ccc(OC)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)o1 | | InChI=1S/C35H39NO10/c1-21-8-7-11-24(37)10-6-4-5-9-23-18-28(38)32(33(40)31(23)35(42)45-21)27(22-12-14-25(43-2)15-13-22)19-30(39)36-20-26-16-17-29(46-26)34(41)44-3/h5,9,12-18,21,27,38,40H,4,6-8,10-11,19-20H2,1-3H3,(H,36,39)/b9-5+/t21-,27?/m0/s1 | 4 | |
| 440 | 49 | 46 | | | 631.2781318919999 | COc1ccc(C(CC(=O)NCC(O)c2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO9/c1-22-7-6-10-26(38)9-5-3-4-8-25-19-30(40)34(35(43)33(25)36(44)46-22)29(23-13-17-28(45-2)18-14-23)20-32(42)37-21-31(41)24-11-15-27(39)16-12-24/h4,8,11-19,22,29,31,39-41,43H,3,5-7,9-10,20-21H2,1-2H3,(H,37,42)/b8-4+/t22-,29?,31?/m0/s1 | 4 | |
| 441 | 55 | 52 | | | 716.3308957359998 | COc1cc(C(CC(=O)NCC(=O)NCCc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H48N2O10/c1-25-12-11-17-29(43)16-10-6-9-15-27-20-31(44)37(38(47)36(27)40(48)52-25)30(28-21-32(49-2)39(51-4)33(22-28)50-3)23-34(45)42-24-35(46)41-19-18-26-13-7-5-8-14-26/h5,7-9,13-15,20-22,25,30,44,47H,6,10-12,16-19,23-24H2,1-4H3,(H,41,46)(H,42,45)/b15-9+/t25-,30?/m0/s1 | 4 | |
| 442 | 52 | 48 | | | 654.294116304 | COc1ccc(C(CC(=O)NC2CCc3ccccc3NC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H42N2O8/c1-23-9-8-13-27(41)12-5-3-4-11-26-21-32(42)35(36(44)34(26)38(46)48-23)29(24-15-18-28(47-2)19-16-24)22-33(43)39-31-20-17-25-10-6-7-14-30(25)40-37(31)45/h4,6-7,10-11,14-16,18-19,21,23,29,31,42,44H,3,5,8-9,12-13,17,20,22H2,1-2H3,(H,39,43)(H,40,45)/b11-4+/t23-,29?,31?/m0/s1 | 5 | |
| 443 | 45 | 43 | | | 615.250202892 | COc1cc(C(CC(=O)NCCS)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C32H41NO9S/c1-19-9-8-12-22(34)11-7-5-6-10-20-15-24(35)29(30(37)28(20)32(38)42-19)23(18-27(36)33-13-14-43)21-16-25(39-2)31(41-4)26(17-21)40-3/h6,10,15-17,19,23,35,37,43H,5,7-9,11-14,18H2,1-4H3,(H,33,36)/b10-6+/t19-,23?/m0/s1 | 3 | |
| 444 | 48 | 44 | | | 604.3148517479999 | COc1ccc(C(CC(=O)NC2CN3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H44N2O7/c1-22-7-6-10-26(38)9-5-3-4-8-25-19-30(39)33(34(41)32(25)35(42)44-22)28(23-11-13-27(43-2)14-12-23)20-31(40)36-29-21-37-17-15-24(29)16-18-37/h4,8,11-14,19,22,24,28-29,39,41H,3,5-7,9-10,15-18,20-21H2,1-2H3,(H,36,40)/b8-4+/t22-,28?,29?/m0/s1 | 6 | |
| 445 | 60 | 55 | | | 775.3138657679999 | COc1ccc(C(CC(=O)NCCS(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H49N3O10S/c1-26-8-6-11-31(45)10-5-3-4-9-29-21-35(46)39(40(49)38(29)41(50)54-26)33(28-14-16-32(53-2)17-15-28)22-36(47)42-18-19-55(51,52)43-23-27-20-30(25-43)34-12-7-13-37(48)44(34)24-27/h4,7,9,12-17,21,26-27,30,33,46,49H,3,5-6,8,10-11,18-20,22-25H2,1-2H3,(H,42,47)/b9-4+/t26-,27-,30+,33?/m0/s1 | 6 | |
| 446 | 49 | 46 | | | 635.2730465119998 | COc1cc(C(CC(=O)NCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H41NO10/c1-21-10-8-13-24(37)12-7-5-6-11-22-16-27(38)32(33(40)31(22)35(41)46-21)26(19-30(39)36-20-25-14-9-15-45-25)23-17-28(42-2)34(44-4)29(18-23)43-3/h6,9,11,14-18,21,26,38,40H,5,7-8,10,12-13,19-20H2,1-4H3,(H,36,39)/b11-6+/t21-,26?/m0/s1 | 4 | |
| 447 | 53 | 50 | | | 691.2992612599999 | COc1cc(C(CC(=O)NCC(O)c2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO11/c1-22-9-8-12-26(40)11-7-5-6-10-24-17-29(42)35(36(45)34(24)38(46)50-22)28(25-18-31(47-2)37(49-4)32(19-25)48-3)20-33(44)39-21-30(43)23-13-15-27(41)16-14-23/h6,10,13-19,22,28,30,41-43,45H,5,7-9,11-12,20-21H2,1-4H3,(H,39,44)/b10-6+/t22-,28?,30?/m0/s1 | 4 | |
| 448 | 45 | 43 | | | 599.2730465119998 | COc1cc(C(CC(=O)NCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C32H41NO10/c1-19-9-8-12-22(35)11-7-5-6-10-20-15-24(36)29(30(38)28(20)32(39)43-19)23(18-27(37)33-13-14-34)21-16-25(40-2)31(42-4)26(17-21)41-3/h6,10,15-17,19,23,34,36,38H,5,7-9,11-14,18H2,1-4H3,(H,33,37)/b10-6+/t19-,23?/m0/s1 | 3 | |
| 449 | 54 | 51 | | | 702.3516311799999 | COc1cc(C(CC(=O)NCC(c2ccccc2)N(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H50N2O9/c1-25-14-13-19-29(43)18-12-8-11-17-27-20-32(44)37(38(46)36(27)40(47)51-25)30(28-21-33(48-4)39(50-6)34(22-28)49-5)23-35(45)41-24-31(42(2)3)26-15-9-7-10-16-26/h7,9-11,15-17,20-22,25,30-31,44,46H,8,12-14,18-19,23-24H2,1-6H3,(H,41,45)/b17-11+/t25-,30?,31?/m0/s1 | 4 | |
| 450 | 53 | 50 | | | 696.3621958639998 | COc1cc(C(CC(=O)NCC(C)(C)N2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H52N2O10/c1-24-11-10-14-27(41)13-9-7-8-12-25-19-29(42)34(35(44)33(25)37(45)50-24)28(26-20-30(46-4)36(48-6)31(21-26)47-5)22-32(43)39-23-38(2,3)40-15-17-49-18-16-40/h8,12,19-21,24,28,42,44H,7,9-11,13-18,22-23H2,1-6H3,(H,39,43)/b12-8+/t24-,28?/m0/s1 | 4 | |
| 451 | 45 | 43 | | | 593.2624818279999 | C#CCNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C33H39NO9/c1-6-15-34-28(37)19-24(22-17-26(40-3)32(42-5)27(18-22)41-4)30-25(36)16-21-12-8-7-9-13-23(35)14-10-11-20(2)43-33(39)29(21)31(30)38/h1,8,12,16-18,20,24,36,38H,7,9-11,13-15,19H2,2-5H3,(H,34,37)/b12-8+/t20-,24?/m0/s1 | 3 | |
| 452 | 62 | 58 | | | 820.298943976 | COc1cc(C(CC(=O)NC(CCS(C)(=O)=O)c2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N4O12S/c1-24-12-11-15-27(46)14-8-6-7-13-25-20-31(47)36(37(49)35(25)41(50)56-24)28(26-21-32(53-2)38(55-4)33(22-26)54-3)23-34(48)43-30(17-19-58(5,51)52)40-44-39(45-57-40)29-16-9-10-18-42-29/h7,9-10,13,16,18,20-22,24,28,30,47,49H,6,8,11-12,14-15,17,19,23H2,1-5H3,(H,43,48)/b13-7+/t24-,28?,30?/m0/s1 | 5 | |
| 453 | 56 | 52 | | | 712.3359811159999 | COc1cc(C(CC(=O)NCCc2cn(C)c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N2O9/c1-25-12-11-15-29(44)14-8-6-7-13-26-20-33(45)38(39(47)37(26)41(48)52-25)31(28-21-34(49-3)40(51-5)35(22-28)50-4)23-36(46)42-19-18-27-24-43(2)32-17-10-9-16-30(27)32/h7,9-10,13,16-17,20-22,24-25,31,45,47H,6,8,11-12,14-15,18-19,23H2,1-5H3,(H,42,46)/b13-7+/t25-,31?/m0/s1 | 5 | |
| 454 | 58 | 54 | | | 744.3258103559998 | COc1ccc2c(c1)C(CCNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc3c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)C(=O)N2 | | InChI=1S/C41H48N2O11/c1-23-10-9-13-26(44)12-8-6-7-11-24-18-32(45)37(38(47)36(24)41(49)54-23)29(25-19-33(51-3)39(53-5)34(20-25)52-4)22-35(46)42-17-16-28-30-21-27(50-2)14-15-31(30)43-40(28)48/h7,11,14-15,18-21,23,28-29,45,47H,6,8-10,12-13,16-17,22H2,1-5H3,(H,42,46)(H,43,48)/b11-7+/t23-,28?,29?/m0/s1 | 5 | |
| 455 | 68 | 63 | | | 859.371380644 | [H][C@]12CN(C(=O)C(CCSC)NC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C46H57N3O11S/c1-27-11-9-14-32(50)13-8-6-7-12-29-20-36(51)42(43(54)41(29)46(56)60-27)33(30-21-37(57-2)44(59-4)38(22-30)58-3)23-39(52)47-34(17-18-61-5)45(55)48-24-28-19-31(26-48)35-15-10-16-40(53)49(35)25-28/h7,10,12,15-16,20-22,27-28,31,33-34,51,54H,6,8-9,11,13-14,17-19,23-26H2,1-5H3,(H,47,52)/b12-7+/t27-,28+,31-,33?,34?/m0/s1 | 6 | |
| 456 | 60 | 56 | | | 770.3526937999999 | COCc1nc(C(Cc2ccccc2)NC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)n[nH]1 | | InChI=1S/C42H50N4O10/c1-25-13-12-18-29(47)17-11-7-10-16-27-20-32(48)38(39(50)37(27)42(51)56-25)30(28-21-33(53-3)40(55-5)34(22-28)54-4)23-36(49)43-31(19-26-14-8-6-9-15-26)41-44-35(24-52-2)45-46-41/h6,8-10,14-16,20-22,25,30-31,48,50H,7,11-13,17-19,23-24H2,1-5H3,(H,43,49)(H,44,45,46)/b16-10+/t25-,30?,31?/m0/s1 | 5 | |
| 457 | 46 | 43 | | | 592.314851748 | COc1ccc(C(CC(=O)NCCN2CCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H44N2O7/c1-23-9-8-12-26(37)11-5-3-4-10-25-21-29(38)32(33(40)31(25)34(41)43-23)28(24-13-15-27(42-2)16-14-24)22-30(39)35-17-20-36-18-6-7-19-36/h4,10,13-16,21,23,28,38,40H,3,5-9,11-12,17-20,22H2,1-2H3,(H,35,39)/b10-4+/t23-,28?/m0/s1 | 4 | |
| 458 | 51 | 47 | | | 639.2944506519999 | COc1ccc(C(CC(=O)NCc2nc3cc(C)ccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H41N3O7/c1-22-12-17-29-30(18-22)40-32(39-29)21-38-33(43)20-28(24-13-15-27(46-3)16-14-24)35-31(42)19-25-9-5-4-6-10-26(41)11-7-8-23(2)47-37(45)34(25)36(35)44/h5,9,12-19,23,28,42,44H,4,6-8,10-11,20-21H2,1-3H3,(H,38,43)(H,39,40)/b9-5+/t23-,28?/m0/s1 | 5 | |
| 459 | 53 | 50 | | | 689.3199967039998 | COc1ccc(CCNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H47NO10/c1-24-10-9-13-28(41)12-8-6-7-11-26-20-31(42)36(37(44)35(26)39(45)50-24)30(27-21-32(47-3)38(49-5)33(22-27)48-4)23-34(43)40-19-18-25-14-16-29(46-2)17-15-25/h7,11,14-17,20-22,24,30,42,44H,6,8-10,12-13,18-19,23H2,1-5H3,(H,40,43)/b11-7+/t24-,30?/m0/s1 | 4 | |
| 460 | 59 | 55 | | | 773.2982157039999 | COc1ccc(C(CC(=O)NCCSCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H47N3O10S/c1-24-9-8-12-27(45)11-7-5-6-10-26-19-32(46)38(39(48)37(26)41(50)54-24)29(25-13-15-28(51-2)16-14-25)21-36(47)42-17-18-55-23-35-43-31-22-34(53-4)33(52-3)20-30(31)40(49)44-35/h6,10,13-16,19-20,22,24,29,46,48H,5,7-9,11-12,17-18,21,23H2,1-4H3,(H,42,47)(H,43,44,49)/b10-6+/t24-,29?/m0/s1 | 5 | |
| 461 | 50 | 47 | | | 653.3199967039998 | COc1cc(C(CC(=O)N[C@H]2CC[C@H](O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H47NO10/c1-21-9-8-12-25(38)11-7-5-6-10-22-17-28(40)33(34(42)32(22)36(43)47-21)27(20-31(41)37-24-13-15-26(39)16-14-24)23-18-29(44-2)35(46-4)30(19-23)45-3/h6,10,17-19,21,24,26-27,39-40,42H,5,7-9,11-16,20H2,1-4H3,(H,37,41)/b10-6+/t21-,24-,26-,27?/m0/s1 | 4 | |
| 462 | 49 | 46 | | | 635.3206653999999 | COc1ccc(C(CC(=O)NC2CCN(CC(N)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H45N3O8/c1-22-7-6-10-26(39)9-5-3-4-8-24-19-29(40)33(34(43)32(24)35(44)46-22)28(23-11-13-27(45-2)14-12-23)20-31(42)37-25-15-17-38(18-16-25)21-30(36)41/h4,8,11-14,19,22,25,28,40,43H,3,5-7,9-10,15-18,20-21H2,1-2H3,(H2,36,41)(H,37,42)/b8-4+/t22-,28?/m0/s1 | 4 | |
| 463 | 50 | 47 | | | 629.2988673360001 | [H][C@](CO)(Cc1ccccc1)NC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C37H43NO8/c1-24-10-9-15-29(40)14-8-4-7-13-27-21-32(41)35(36(43)34(27)37(44)46-24)31(26-16-18-30(45-2)19-17-26)22-33(42)38-28(23-39)20-25-11-5-3-6-12-25/h3,5-7,11-13,16-19,21,24,28,31,39,41,43H,4,8-10,14-15,20,22-23H2,1-2H3,(H,38,42)/b13-7+/t24-,28+,31?/m0/s1 | 4 | |
| 464 | 53 | 50 | | | 691.2853425119998 | COc1ccc(C(CC(=O)NCCNC(=O)Cn2cc([N+](=O)[O-])cn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H41N5O10/c1-22-7-6-10-26(41)9-5-3-4-8-24-17-29(42)33(34(45)32(24)35(46)50-22)28(23-11-13-27(49-2)14-12-23)18-30(43)36-15-16-37-31(44)21-39-20-25(19-38-39)40(47)48/h4,8,11-14,17,19-20,22,28,42,45H,3,5-7,9-10,15-16,18,21H2,1-2H3,(H,36,43)(H,37,44)/b8-4+/t22-,28?/m0/s1 | 4 | |
| 465 | 56 | 53 | | | 732.3621958639999 | COc1ccc(C(CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)N(C)C)cc1 | | InChI=1S/C41H52N2O10/c1-25-12-11-15-29(44)14-10-8-9-13-27-20-33(45)38(39(47)37(27)41(48)53-25)31(28-21-34(50-5)40(52-7)35(22-28)51-6)23-36(46)42-24-32(43(2)3)26-16-18-30(49-4)19-17-26/h9,13,16-22,25,31-32,45,47H,8,10-12,14-15,23-24H2,1-7H3,(H,42,46)/b13-9+/t25-,31?,32?/m0/s1 | 4 | |
| 466 | 51 | 48 | | | 663.3155800199999 | COc1cc(C(CC(=O)NCCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H45N3O9/c1-23-10-8-13-26(40)12-7-5-6-11-24-18-28(41)33(34(43)32(24)36(44)48-23)27(21-31(42)38-14-9-16-39-17-15-37-22-39)25-19-29(45-2)35(47-4)30(20-25)46-3/h6,11,15,17-20,22-23,27,41,43H,5,7-10,12-14,16,21H2,1-4H3,(H,38,42)/b11-6+/t23-,27?/m0/s1 | 4 | |
| 467 | 56 | 54 | | | 775.4718058879998 | CCC(=O)OC1C(N(C)C)CC(C)O[C@H]1O[C@H]1[C@H](C)[C@@H](O[C@H]2CC(OC)[C@@H](O)C(C)O2)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]1(C)O | | InChI=1S/C39H69NO14/c1-14-27-39(10,47)34(44)21(5)30(42)19(3)18-38(9,46)35(54-37-33(52-28(41)15-2)25(40(11)12)16-20(4)49-37)22(6)32(23(7)36(45)51-27)53-29-17-26(48-13)31(43)24(8)50-29/h19-27,29,31-35,37,43-44,46-47H,14-18H2,1-13H3/t19-,20?,21+,22+,23-,24?,25?,26?,27-,29-,31-,32+,33?,34-,35-,37-,38-,39-/m0/s1 | 3 | |
| 468 | 67 | 65 | | | 951.4861356240001 | CCC1OC(=O)C(C)C(OC2CC(C)(CC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCOC(=O)CC(S)OC(=O)O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C45H77NO18S/c1-14-29-45(11,56)37(50)24(5)34(49)22(3)20-44(10,55)39(25(6)35(26(7)40(52)60-29)62-32-21-43(9,15-2)38(51)27(8)59-32)64-41-36(28(46(12)13)18-23(4)58-41)61-30(47)16-17-57-31(48)19-33(65)63-42(53)54/h22-29,32-33,35-39,41,50-51,55-56,65H,14-21H2,1-13H3,(H,53,54) | 3 | |
| 469 | 51 | 47 | | | 639.2944506519999 | COc1ccc(C(CC(=O)NCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H41N3O7/c1-23-9-8-12-26(41)11-5-3-4-10-25-21-31(42)35(36(44)34(25)37(45)47-23)28(24-15-17-27(46-2)18-16-24)22-33(43)38-20-19-32-39-29-13-6-7-14-30(29)40-32/h4,6-7,10,13-18,21,23,28,42,44H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,38,43)(H,39,40)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 470 | 51 | 47 | | | 643.2529797639999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(=O)Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H37N3O9/c1-21-8-7-11-24(39)10-4-2-3-9-23-16-26(40)33(34(43)32(23)35(44)47-21)25(22-13-14-27-28(17-22)46-20-45-27)18-30(41)37-19-31(42)38-29-12-5-6-15-36-29/h3,5-6,9,12-17,21,25,40,43H,2,4,7-8,10-11,18-20H2,1H3,(H,37,41)(H,36,38,42)/b9-3+/t21-,25?/m0/s1 | 5 | |
| 471 | 57 | 53 | | | 732.3006582279997 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCC(=O)NCc3cc(=O)n(C)c(=O)n3C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H44N4O11/c1-22-8-7-11-26(43)10-6-4-5-9-24-16-28(44)35(36(48)34(24)37(49)53-22)27(23-12-13-29-30(17-23)52-21-51-29)19-32(46)39-15-14-31(45)40-20-25-18-33(47)42(3)38(50)41(25)2/h5,9,12-13,16-18,22,27,44,48H,4,6-8,10-11,14-15,19-21H2,1-3H3,(H,39,46)(H,40,45)/b9-5+/t22-,27?/m0/s1 | 5 | |
| 472 | 48 | 44 | | | 603.2580651439999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3c[nH]cn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C33H37N3O8/c1-20-6-5-9-24(37)8-4-2-3-7-22-14-26(38)31(32(40)30(22)33(41)44-20)25(21-10-11-27-28(15-21)43-19-42-27)16-29(39)35-13-12-23-17-34-18-36-23/h3,7,10-11,14-15,17-18,20,25,38,40H,2,4-6,8-9,12-13,16,19H2,1H3,(H,34,36)(H,35,39)/b7-3+/t20-,25?/m0/s1 | 5 | |
| 473 | 54 | 49 | | | 668.27338086 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3c[nH]c4ccc(O)cc34)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H40N2O9/c1-22-6-5-9-26(41)8-4-2-3-7-24-16-31(43)36(37(45)35(24)38(46)49-22)29(23-10-13-32-33(17-23)48-21-47-32)19-34(44)39-15-14-25-20-40-30-12-11-27(42)18-28(25)30/h3,7,10-13,16-18,20,22,29,40,42-43,45H,2,4-6,8-9,14-15,19,21H2,1H3,(H,39,44)/b7-3+/t22-,29?/m0/s1 | 6 | |
| 474 | 52 | 48 | | | 657.2686298279998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCC(=O)Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39N3O9/c1-22-8-7-11-25(40)10-4-2-3-9-24-18-27(41)34(35(44)33(24)36(45)48-22)26(23-13-14-28-29(19-23)47-21-46-28)20-32(43)38-17-15-31(42)39-30-12-5-6-16-37-30/h3,5-6,9,12-14,16,18-19,22,26,41,44H,2,4,7-8,10-11,15,17,20-21H2,1H3,(H,38,43)(H,37,39,42)/b9-3+/t22-,26?/m0/s1 | 5 | |
| 475 | 48 | 44 | | | 668.148176116 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3nnc(Br)[nH]3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C31H33BrN4O8/c1-17-6-5-9-20(37)8-4-2-3-7-19-12-22(38)28(29(40)27(19)30(41)44-17)21(18-10-11-23-24(13-18)43-16-42-23)14-26(39)33-15-25-34-31(32)36-35-25/h3,7,10-13,17,21,38,40H,2,4-6,8-9,14-16H2,1H3,(H,33,39)(H,34,35,36)/b7-3+/t17-,21?/m0/s1 | 5 | |
| 476 | 46 | 43 | | | 597.2573964479998 | COC(CNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)OC | | InChI=1S/C32H39NO10/c1-19-8-7-11-22(34)10-6-4-5-9-21-14-24(35)30(31(37)29(21)32(38)43-19)23(16-27(36)33-17-28(39-2)40-3)20-12-13-25-26(15-20)42-18-41-25/h5,9,12-15,19,23,28,35,37H,4,6-8,10-11,16-18H2,1-3H3,(H,33,36)/b9-5+/t19-,23?/m0/s1 | 4 | |
| 477 | 48 | 44 | | | 620.2192371119999 | Cc1nc(CNC(=O)CC(c2ccc3c(c2)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cs1 | | InChI=1S/C33H36N2O8S/c1-19-7-6-10-24(36)9-5-3-4-8-22-13-26(37)31(32(39)30(22)33(40)43-19)25(21-11-12-27-28(14-21)42-18-41-27)15-29(38)34-16-23-17-44-20(2)35-23/h4,8,11-14,17,19,25,37,39H,3,5-7,9-10,15-16,18H2,1-2H3,(H,34,38)/b8-4+/t19-,25?/m0/s1 | 5 | |
| 478 | 58 | 53 | | | 728.3308957359999 | COc1ccc(C(CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H48N2O10/c1-24-9-8-12-27(44)11-7-5-6-10-26-19-33(45)36(37(47)35(26)41(48)53-24)30(25-13-15-28(49-3)16-14-25)20-34(46)42-21-31-29-17-18-43(2)22-32(29)38(50-4)40-39(31)51-23-52-40/h6,10,13-16,19,24,30,45,47H,5,7-9,11-12,17-18,20-23H2,1-4H3,(H,42,46)/b10-6+/t24-,30?/m0/s1 | 6 | |
| 479 | 55 | 50 | | | 683.284279892 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCn3c(CO)nc4ccccc43)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H41N3O9/c1-23-8-7-11-26(43)10-4-2-3-9-25-18-30(44)36(37(46)35(25)38(47)50-23)27(24-14-15-31-32(19-24)49-22-48-31)20-34(45)39-16-17-41-29-13-6-5-12-28(29)40-33(41)21-42/h3,5-6,9,12-15,18-19,23,27,42,44,46H,2,4,7-8,10-11,16-17,20-22H2,1H3,(H,39,45)/b9-3+/t23-,27?/m0/s1 | 6 | |
| 480 | 51 | 48 | | | 727.221675404 | COCn1nc(Br)nc1NCCNC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C34H42BrN5O8/c1-21-8-7-11-24(41)10-6-4-5-9-23-18-27(42)30(31(44)29(23)32(45)48-21)26(22-12-14-25(47-3)15-13-22)19-28(43)36-16-17-37-34-38-33(35)39-40(34)20-46-2/h5,9,12-15,18,21,26,42,44H,4,6-8,10-11,16-17,19-20H2,1-3H3,(H,36,43)(H,37,38,39)/b9-5+/t21-,26?/m0/s1 | 4 | |
| 481 | 46 | 43 | | | 589.278800588 | COc1ccc(C(CC(=O)NCCc2c[nH]cn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H39N3O7/c1-21-7-6-10-25(37)9-5-3-4-8-23-17-28(38)31(32(40)30(23)33(41)43-21)27(22-11-13-26(42-2)14-12-22)18-29(39)35-16-15-24-19-34-20-36-24/h4,8,11-14,17,19-21,27,38,40H,3,5-7,9-10,15-16,18H2,1-2H3,(H,34,36)(H,35,39)/b8-4+/t21-,27?/m0/s1 | 4 | |
| 482 | 54 | 50 | | | 681.3414008439997 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1nc2ccccc2[nH]1 | | InChI=1S/C40H47N3O7/c1-5-24(2)37(39-41-31-16-9-10-17-32(31)42-39)43-34(46)23-30(26-18-20-29(49-4)21-19-26)36-33(45)22-27-13-7-6-8-14-28(44)15-11-12-25(3)50-40(48)35(27)38(36)47/h7,9-10,13,16-22,24-25,30,37,45,47H,5-6,8,11-12,14-15,23H2,1-4H3,(H,41,42)(H,43,46)/b13-7+/t24-,25-,30?,37-/m0/s1 | 5 | |
| 483 | 50 | 46 | | | 629.2624818279999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3ccc(O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO9/c1-22-6-5-9-26(38)8-4-2-3-7-25-18-29(40)34(35(42)33(25)36(43)46-22)28(24-12-15-30-31(19-24)45-21-44-30)20-32(41)37-17-16-23-10-13-27(39)14-11-23/h3,7,10-15,18-19,22,28,39-40,42H,2,4-6,8-9,16-17,20-21H2,1H3,(H,37,41)/b7-3+/t22-,28?/m0/s1 | 5 | |
| 484 | 50 | 47 | | | 665.2770863359998 | COc1ccc(C(CC(=O)NC(CCSC)c2nc(C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H43N3O8S/c1-21-9-8-12-25(39)11-7-5-6-10-24-19-29(40)32(33(42)31(24)35(43)45-21)27(23-13-15-26(44-3)16-14-23)20-30(41)37-28(17-18-47-4)34-36-22(2)38-46-34/h6,10,13-16,19,21,27-28,40,42H,5,7-9,11-12,17-18,20H2,1-4H3,(H,37,41)/b10-6+/t21-,27?,28?/m0/s1 | 4 | |
| 485 | 55 | 50 | | | 682.2638787959999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3nc(-c4cccnc4)no3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N4O9/c1-22-7-5-11-26(42)10-4-2-3-8-24-17-28(43)34(35(45)33(24)37(46)49-22)27(23-12-13-29-30(18-23)48-21-47-29)19-31(44)39-16-14-32-40-36(41-50-32)25-9-6-15-38-20-25/h3,6,8-9,12-13,15,17-18,20,22,27,43,45H,2,4-5,7,10-11,14,16,19,21H2,1H3,(H,39,44)/b8-3+/t22-,27?/m0/s1 | 6 | |
| 486 | 60 | 54 | | | 742.310160292 | COc1c2c(c(CNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c3c1OCO3)CCN(C)C2 | | InChI=1S/C41H46N2O11/c1-23-8-7-11-26(44)10-6-4-5-9-25-16-31(45)36(37(47)35(25)41(48)54-23)28(24-12-13-32-33(17-24)51-21-50-32)18-34(46)42-19-29-27-14-15-43(2)20-30(27)38(49-3)40-39(29)52-22-53-40/h5,9,12-13,16-17,23,28,45,47H,4,6-8,10-11,14-15,18-22H2,1-3H3,(H,42,46)/b9-5+/t23-,28?/m0/s1 | 7 | |
| 487 | 46 | 43 | | | 586.267901556 | COc1ccc(C(CC(=O)NCc2ccncc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H38N2O7/c1-22-7-6-10-26(37)9-5-3-4-8-25-19-29(38)32(33(40)31(25)34(41)43-22)28(24-11-13-27(42-2)14-12-24)20-30(39)36-21-23-15-17-35-18-16-23/h4,8,11-19,22,28,38,40H,3,5-7,9-10,20-21H2,1-2H3,(H,36,39)/b8-4+/t22-,28?/m0/s1 | 4 | |
| 488 | 46 | 43 | | | 654.1689115599999 | COc1ccc(C(CC(=O)NCc2nnc(Br)[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H35BrN4O7/c1-18-7-6-10-21(37)9-5-3-4-8-20-15-24(38)28(29(40)27(20)30(41)43-18)23(19-11-13-22(42-2)14-12-19)16-26(39)33-17-25-34-31(32)36-35-25/h4,8,11-15,18,23,38,40H,3,5-7,9-10,16-17H2,1-2H3,(H,33,39)(H,34,35,36)/b8-4+/t18-,23?/m0/s1 | 4 | |
| 489 | 55 | 51 | | | 695.3570509079998 | COc1ccc(C(CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H49N3O7/c1-25(2)22-33(40-43-32-16-9-10-17-34(32)44(40)4)42-36(47)24-31(27-18-20-30(50-5)21-19-27)38-35(46)23-28-13-7-6-8-14-29(45)15-11-12-26(3)51-41(49)37(28)39(38)48/h7,9-10,13,16-21,23,25-26,31,33,46,48H,6,8,11-12,14-15,22,24H2,1-5H3,(H,42,47)/b13-7+/t26-,31?,33-/m0/s1 | 5 | |
| 490 | 52 | 48 | | | 643.2781318919999 | [H][C@](CO)(Cc1ccccc1)NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C37H41NO9/c1-23-9-8-14-28(40)13-7-3-6-12-26-18-30(41)35(36(43)34(26)37(44)47-23)29(25-15-16-31-32(19-25)46-22-45-31)20-33(42)38-27(21-39)17-24-10-4-2-5-11-24/h2,4-6,10-12,15-16,18-19,23,27,29,39,41,43H,3,7-9,13-14,17,20-22H2,1H3,(H,38,42)/b12-6+/t23-,27+,29?/m0/s1 | 5 | |
| 491 | 56 | 51 | | | 697.2635444479997 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H39N3O10/c1-22-8-7-11-25(42)10-4-2-3-9-24-18-29(43)34(35(45)33(24)38(48)51-22)26(23-14-15-30-31(19-23)50-21-49-30)20-32(44)39-16-17-41-28-13-6-5-12-27(28)40-36(46)37(41)47/h3,5-6,9,12-15,18-19,22,26,43,45H,2,4,7-8,10-11,16-17,20-21H2,1H3,(H,39,44)(H,40,46)/b9-3+/t22-,26?/m0/s1 | 6 | |
| 492 | 51 | 47 | | | 645.2573964479998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(O)c3cccc(O)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO10/c1-21-7-5-11-25(38)10-4-2-3-8-24-16-28(40)34(35(43)33(24)36(44)47-21)27(22-13-14-30-31(17-22)46-20-45-30)18-32(42)37-19-29(41)23-9-6-12-26(39)15-23/h3,6,8-9,12-17,21,27,29,39-41,43H,2,4-5,7,10-11,18-20H2,1H3,(H,37,42)/b8-3+/t21-,27?,29?/m0/s1 | 5 | |
| 493 | 54 | 49 | | | 682.2348871759999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3cccc(-c4nccs4)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H38N2O8S/c1-23-7-5-12-28(41)11-4-2-3-9-26-18-30(42)35(36(44)34(26)38(45)48-23)29(25-13-14-31-32(19-25)47-22-46-31)20-33(43)40-21-24-8-6-10-27(17-24)37-39-15-16-49-37/h3,6,8-10,13-19,23,29,42,44H,2,4-5,7,11-12,20-22H2,1H3,(H,40,43)/b9-3+/t23-,29?/m0/s1 | 6 | |
| 494 | 51 | 47 | | | 639.2944506519998 | COc1ccc(C(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H41N3O7/c1-22-10-9-13-26(41)12-6-4-5-11-25-20-31(42)34(35(44)33(25)37(45)47-22)28(24-16-18-27(46-3)19-17-24)21-32(43)38-23(2)36-39-29-14-7-8-15-30(29)40-36/h5,7-8,11,14-20,22-23,28,42,44H,4,6,9-10,12-13,21H2,1-3H3,(H,38,43)(H,39,40)/b11-5+/t22-,23-,28?/m0/s1 | 5 | |
| 495 | 54 | 50 | | | 683.2842798919999 | COc1ccc(C(CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H41N3O9/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-31(43)34(35(45)33(25)38(48)50-23)28(24-15-17-27(49-2)18-16-24)22-32(44)39-19-20-41-30-14-7-6-13-29(30)40-36(46)37(41)47/h4,6-7,10,13-18,21,23,28,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)(H,40,46)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 496 | 53 | 49 | | | 668.2846142399999 | COc1ccc(C(CC(=O)NCCc2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H40N4O8/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-30(43)34(35(45)33(25)37(46)48-23)28(24-14-16-27(47-2)17-15-24)22-31(44)39-20-18-32-40-36(41-49-32)29-13-6-7-19-38-29/h4,6-7,10,13-17,19,21,23,28,43,45H,3,5,8-9,11-12,18,20,22H2,1-2H3,(H,39,44)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 497 | 54 | 51 | | | 704.3421291159999 | COc1ccc(C(CC(=O)NCCC(=O)NCCc2nc(C(C)C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H48N4O9/c1-23(2)37-41-33(51-42-37)18-20-39-31(45)17-19-40-32(46)22-29(25-13-15-28(49-4)16-14-25)35-30(44)21-26-10-6-5-7-11-27(43)12-8-9-24(3)50-38(48)34(26)36(35)47/h6,10,13-16,21,23-24,29,44,47H,5,7-9,11-12,17-20,22H2,1-4H3,(H,39,45)(H,40,46)/b10-6+/t24-,29?/m0/s1 | 4 | |
| 498 | 56 | 51 | | | 695.3206653999998 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1nc2ccccc2[nH]1 | | InChI=1S/C40H45N3O8/c1-4-23(2)37(39-41-29-15-8-9-16-30(29)42-39)43-34(46)21-28(25-17-18-32-33(20-25)50-22-49-32)36-31(45)19-26-12-6-5-7-13-27(44)14-10-11-24(3)51-40(48)35(26)38(36)47/h6,8-9,12,15-20,23-24,28,37,45,47H,4-5,7,10-11,13-14,21-22H2,1-3H3,(H,41,42)(H,43,46)/b12-6+/t23-,24-,28?,37-/m0/s1 | 6 | |
| 499 | 45 | 42 | | | 567.2468317639999 | [H][C@](C)(O)CNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C31H37NO9/c1-18(33)16-32-27(36)15-23(20-11-12-25-26(14-20)40-17-39-25)29-24(35)13-21-8-4-3-5-9-22(34)10-6-7-19(2)41-31(38)28(21)30(29)37/h4,8,11-14,18-19,23,33,35,37H,3,5-7,9-10,15-17H2,1-2H3,(H,32,36)/b8-4+/t18-,19+,23?/m1/s1 | 4 | |
| 500 | 54 | 50 | | | 699.2614362719999 | COc1ccc(C(CC(=O)NCCC(=O)Nc2nc3ccccc3s2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H41N3O8S/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-30(43)35(36(46)34(25)37(47)49-23)28(24-15-17-27(48-2)18-16-24)22-33(45)39-20-19-32(44)41-38-40-29-13-6-7-14-31(29)50-38/h4,6-7,10,13-18,21,23,28,43,46H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,45)(H,40,41,44)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 501 | 49 | 45 | | | 614.262816176 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H38N2O8/c1-22-8-7-12-26(38)11-4-2-3-9-24-18-28(39)33(34(41)32(24)35(42)45-22)27(23-13-14-29-30(19-23)44-21-43-29)20-31(40)37-17-15-25-10-5-6-16-36-25/h3,5-6,9-10,13-14,16,18-19,22,27,39,41H,2,4,7-8,11-12,15,17,20-21H2,1H3,(H,37,40)/b9-3+/t22-,27?/m0/s1 | 5 | |
| 502 | 54 | 49 | | | 668.2733808599999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NC3CCc4ccccc4N=C3O)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H40N2O9/c1-22-8-7-12-26(41)11-4-2-3-10-25-18-30(42)35(36(44)34(25)38(46)49-22)27(24-15-17-31-32(19-24)48-21-47-31)20-33(43)39-29-16-14-23-9-5-6-13-28(23)40-37(29)45/h3,5-6,9-10,13,15,17-19,22,27,29,42,44H,2,4,7-8,11-12,14,16,20-21H2,1H3,(H,39,43)(H,40,45)/b10-3+/t22-,27?,29?/m0/s1 | 6 | |
| 503 | 48 | 44 | | | 605.2485630799998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3nnc(N)[nH]3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C31H35N5O8/c1-17-6-5-9-20(37)8-4-2-3-7-19-12-22(38)28(29(40)27(19)30(41)44-17)21(18-10-11-23-24(13-18)43-16-42-23)14-26(39)33-15-25-34-31(32)36-35-25/h3,7,10-13,17,21,38,40H,2,4-6,8-9,14-16H2,1H3,(H,33,39)(H3,32,34,35,36)/b7-3+/t17-,21?/m0/s1 | 5 | |
| 504 | 50 | 46 | | | 649.2094006999998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(=O)Nc3nccs3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C33H35N3O9S/c1-19-6-5-9-22(37)8-4-2-3-7-21-14-24(38)30(31(41)29(21)32(42)45-19)23(20-10-11-25-26(15-20)44-18-43-25)16-27(39)35-17-28(40)36-33-34-12-13-46-33/h3,7,10-15,19,23,38,41H,2,4-6,8-9,16-18H2,1H3,(H,35,39)(H,34,36,40)/b7-3+/t19-,23?/m0/s1 | 5 | |
| 505 | 53 | 49 | | | 692.2403664799999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H40N2O10S/c1-22-6-5-9-26(39)8-4-2-3-7-25-18-29(40)34(35(42)33(25)36(43)48-22)28(24-12-15-30-31(19-24)47-21-46-30)20-32(41)38-17-16-23-10-13-27(14-11-23)49(37,44)45/h3,7,10-15,18-19,22,28,40,42H,2,4-6,8-9,16-17,20-21H2,1H3,(H,38,41)(H2,37,44,45)/b7-3+/t22-,28?/m0/s1 | 5 | |
| 506 | 66 | 60 | | | 813.3295158320001 | [H][C@]12CN(C(=O)[C@H](CCSC)NC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H51N3O10S/c1-26-8-6-11-31(48)10-5-3-4-9-29-19-35(49)41(42(52)40(29)44(54)57-26)32(28-14-15-36-37(20-28)56-25-55-36)21-38(50)45-33(16-17-58-2)43(53)46-22-27-18-30(24-46)34-12-7-13-39(51)47(34)23-27/h4,7,9,12-15,19-20,26-27,30,32-33,49,52H,3,5-6,8,10-11,16-18,21-25H2,1-2H3,(H,45,50)/b9-4+/t26-,27+,30-,32?,33-/m0/s1 | 7 | |
| 507 | 49 | 45 | | | 617.2624818279999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCCc3ccco3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39NO9/c1-22-8-5-11-25(37)10-4-2-3-9-24-18-28(38)33(34(40)32(24)35(41)45-22)27(23-14-15-29-30(19-23)44-21-43-29)20-31(39)36-16-6-12-26-13-7-17-42-26/h3,7,9,13-15,17-19,22,27,38,40H,2,4-6,8,10-12,16,20-21H2,1H3,(H,36,39)/b9-3+/t22-,27?/m0/s1 | 5 | |
| 508 | 55 | 51 | | | 705.2646070679997 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCNC(=O)Cn3cc([N+](=O)[O-])cn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39N5O11/c1-21-6-5-9-25(41)8-4-2-3-7-23-14-27(42)33(34(45)32(23)35(46)51-21)26(22-10-11-28-29(15-22)50-20-49-28)16-30(43)36-12-13-37-31(44)19-39-18-24(17-38-39)40(47)48/h3,7,10-11,14-15,17-18,21,26,42,45H,2,4-6,8-9,12-13,16,19-20H2,1H3,(H,36,43)(H,37,44)/b7-3+/t21-,26?/m0/s1 | 5 | |
| 509 | 50 | 47 | | | 648.3410664959999 | COc1ccc(C(CC(=O)NCCCN2CCCCCC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H48N2O8/c1-25-11-9-14-28(40)13-6-3-5-12-27-23-31(41)35(36(44)34(27)37(45)47-25)30(26-16-18-29(46-2)19-17-26)24-32(42)38-20-10-22-39-21-8-4-7-15-33(39)43/h5,12,16-19,23,25,30,41,44H,3-4,6-11,13-15,20-22,24H2,1-2H3,(H,38,42)/b12-5+/t25-,30?/m0/s1 | 4 | |
| 510 | 52 | 47 | | | 638.262816176 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3cccc4[nH]ccc34)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N2O8/c1-22-7-5-11-26(40)10-4-2-3-8-24-17-30(41)35(36(43)34(24)37(44)47-22)28(23-13-14-31-32(18-23)46-21-45-31)19-33(42)39-20-25-9-6-12-29-27(25)15-16-38-29/h3,6,8-9,12-18,22,28,38,41,43H,2,4-5,7,10-11,19-21H2,1H3,(H,39,42)/b8-3+/t22-,28?/m0/s1 | 6 | |
| 511 | 49 | 45 | | | 634.2348871759999 | Cc1csc(CCNC(=O)CC(c2ccc3c(c2)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)n1 | | InChI=1S/C34H38N2O8S/c1-20-18-45-30(36-20)13-14-35-29(39)17-25(22-11-12-27-28(16-22)43-19-42-27)32-26(38)15-23-8-4-3-5-9-24(37)10-6-7-21(2)44-34(41)31(23)33(32)40/h4,8,11-12,15-16,18,21,25,38,40H,3,5-7,9-10,13-14,17,19H2,1-2H3,(H,35,39)/b8-4+/t21-,25?/m0/s1 | 5 | |
| 512 | 50 | 45 | | | 618.2941163039999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NC3CN4CCC3CC4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H42N2O8/c1-21-6-5-9-25(38)8-4-2-3-7-24-16-28(39)33(34(41)32(24)35(42)45-21)26(23-10-11-29-30(17-23)44-20-43-29)18-31(40)36-27-19-37-14-12-22(27)13-15-37/h3,7,10-11,16-17,21-22,26-27,39,41H,2,4-6,8-9,12-15,18-20H2,1H3,(H,36,40)/b7-3+/t21-,26?,27?/m0/s1 | 7 | |
| 513 | 48 | 44 | | | 600.247166112 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C34H36N2O8/c1-21-8-7-12-25(37)11-4-2-3-9-23-16-27(38)32(33(40)31(23)34(41)44-21)26(22-13-14-28-29(17-22)43-20-42-28)18-30(39)36-19-24-10-5-6-15-35-24/h3,5-6,9-10,13-17,21,26,38,40H,2,4,7-8,11-12,18-20H2,1H3,(H,36,39)/b9-3+/t21-,26?/m0/s1 | 5 | |
| 514 | 54 | 50 | | | 699.2978217799999 | COc1ccc(C(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H45N3O7S/c1-24-10-9-13-27(43)12-6-4-5-11-26-22-33(44)36(37(46)35(26)39(47)49-24)29(25-16-18-28(48-2)19-17-25)23-34(45)40-32(20-21-50-3)38-41-30-14-7-8-15-31(30)42-38/h5,7-8,11,14-19,22,24,29,32,44,46H,4,6,9-10,12-13,20-21,23H2,1-3H3,(H,40,45)(H,41,42)/b11-5+/t24-,29?,32-/m0/s1 | 5 | |
| 515 | 55 | 51 | | | 713.3134718439999 | COc1ccc(C(CC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C40H47N3O7S/c1-25-11-10-14-28(44)13-7-5-6-12-27-23-34(45)37(38(47)36(27)40(48)50-25)30(26-17-19-29(49-3)20-18-26)24-35(46)41-32(21-22-51-4)39-42-31-15-8-9-16-33(31)43(39)2/h6,8-9,12,15-20,23,25,30,32,45,47H,5,7,10-11,13-14,21-22,24H2,1-4H3,(H,41,46)/b12-6+/t25-,30?,32-/m0/s1 | 5 | |
| 516 | 49 | 46 | | | 629.298867336 | COc1ccc(CCNC(=O)CC(c2ccc(OC)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H43NO8/c1-24-8-7-11-28(39)10-6-4-5-9-27-22-32(40)35(36(42)34(27)37(43)46-24)31(26-14-18-30(45-3)19-15-26)23-33(41)38-21-20-25-12-16-29(44-2)17-13-25/h5,9,12-19,22,24,31,40,42H,4,6-8,10-11,20-21,23H2,1-3H3,(H,38,41)/b9-5+/t24-,31?/m0/s1 | 4 | |
| 517 | 48 | 45 | | | 622.2890309239999 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(N)=O | | InChI=1S/C34H42N2O9/c1-4-19(2)31(33(35)41)36-28(39)17-24(21-13-14-26-27(16-21)44-18-43-26)30-25(38)15-22-10-6-5-7-11-23(37)12-8-9-20(3)45-34(42)29(22)32(30)40/h6,10,13-16,19-20,24,31,38,40H,4-5,7-9,11-12,17-18H2,1-3H3,(H2,35,41)(H,36,39)/b10-6+/t19-,20-,24?,31-/m0/s1 | 4 | |
| 518 | 46 | 43 | | | 594.2577307959999 | CC(=O)NCCNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C32H38N2O9/c1-19-7-6-10-23(36)9-5-3-4-8-22-15-25(37)30(31(39)29(22)32(40)43-19)24(17-28(38)34-14-13-33-20(2)35)21-11-12-26-27(16-21)42-18-41-26/h4,8,11-12,15-16,19,24,37,39H,3,5-7,9-10,13-14,17-18H2,1-2H3,(H,33,35)(H,34,38)/b8-4+/t19-,24?/m0/s1 | 4 | |
| 519 | 65 | 59 | | | 781.357444832 | [H][C@]12CN(C(=O)[C@@H](NC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C(C)C)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H51N3O10/c1-25(2)41(43(53)46-21-27-17-30(23-46)33-13-8-14-38(51)47(33)22-27)45-37(50)20-32(28-15-16-35-36(19-28)56-24-55-35)40-34(49)18-29-10-5-4-6-11-31(48)12-7-9-26(3)57-44(54)39(29)42(40)52/h5,8,10,13-16,18-19,25-27,30,32,41,49,52H,4,6-7,9,11-12,17,20-24H2,1-3H3,(H,45,50)/b10-5+/t26-,27+,30-,32?,41-/m0/s1 | 7 | |
| 520 | 49 | 45 | | | 643.2087320039998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C32H37NO11S/c1-18-6-5-9-21(34)8-4-2-3-7-20-12-24(35)30(31(38)29(20)32(39)44-18)22(19-10-11-26-27(13-19)43-17-42-26)14-28(37)33-23-15-45(40,41)16-25(23)36/h3,7,10-13,18,22-23,25,35-36,38H,2,4-6,8-9,14-17H2,1H3,(H,33,37)/b7-3+/t18-,22?,23-,25+/m0/s1 | 5 | |
| 521 | 51 | 47 | | | 649.2999299559998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NC3CCN(CC(N)=O)CC3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H43N3O9/c1-21-6-5-9-25(39)8-4-2-3-7-23-16-27(40)33(34(43)32(23)35(44)47-21)26(22-10-11-28-29(17-22)46-20-45-28)18-31(42)37-24-12-14-38(15-13-24)19-30(36)41/h3,7,10-11,16-17,21,24,26,40,43H,2,4-6,8-9,12-15,18-20H2,1H3,(H2,36,41)(H,37,42)/b7-3+/t21-,26?/m0/s1 | 5 | |
| 522 | 63 | 57 | | | 753.3261447040001 | [H][C@]12CN(C(=O)[C@H](C)NC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C42H47N3O10/c1-24-8-6-11-30(46)10-5-3-4-9-28-17-33(47)39(40(50)38(28)42(52)55-24)31(27-14-15-34-35(18-27)54-23-53-34)19-36(48)43-25(2)41(51)44-20-26-16-29(22-44)32-12-7-13-37(49)45(32)21-26/h4,7,9,12-15,17-18,24-26,29,31,47,50H,3,5-6,8,10-11,16,19-23H2,1-2H3,(H,43,48)/b9-4+/t24-,25-,26+,29-,31?/m0/s1 | 7 | |
| 523 | 45 | 42 | | | 580.2420807319999 | C[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(N)=O | | InChI=1S/C31H36N2O9/c1-17-7-6-10-21(34)9-5-3-4-8-20-13-23(35)28(29(37)27(20)31(39)42-17)22(15-26(36)33-18(2)30(32)38)19-11-12-24-25(14-19)41-16-40-24/h4,8,11-14,17-18,22,35,37H,3,5-7,9-10,15-16H2,1-2H3,(H2,32,38)(H,33,36)/b8-4+/t17-,18-,22?/m0/s1 | 4 | |
| 524 | 44 | 42 | | | 602.229801796 | COc1ccc(C(CC(=O)NCCS(N)(=O)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C30H38N2O9S/c1-19-7-6-10-22(33)9-5-3-4-8-21-17-25(34)28(29(36)27(21)30(37)41-19)24(20-11-13-23(40-2)14-12-20)18-26(35)32-15-16-42(31,38)39/h4,8,11-14,17,19,24,34,36H,3,5-7,9-10,15-16,18H2,1-2H3,(H,32,35)(H2,31,38,39)/b8-4+/t19-,24?/m0/s1 | 3 | |
| 525 | 46 | 43 | | | 589.278800588 | COc1ccc(C(CC(=O)NCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H39N3O7/c1-22-7-6-10-25(37)9-5-3-4-8-24-19-28(38)31(32(40)30(24)33(41)43-22)27(23-11-13-26(42-2)14-12-23)20-29(39)35-16-18-36-17-15-34-21-36/h4,8,11-15,17,19,21-22,27,38,40H,3,5-7,9-10,16,18,20H2,1-2H3,(H,35,39)/b8-4+/t22-,27?/m0/s1 | 4 | |
| 526 | 54 | 49 | | | 660.3410664959999 | [H][C@]12CCCCN1CCC[C@H]2CNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C38H48N2O8/c1-24-9-7-13-28(41)12-4-2-3-10-26-19-31(42)36(37(44)35(26)38(45)48-24)29(25-15-16-32-33(20-25)47-23-46-32)21-34(43)39-22-27-11-8-18-40-17-6-5-14-30(27)40/h3,10,15-16,19-20,24,27,29-30,42,44H,2,4-9,11-14,17-18,21-23H2,1H3,(H,39,43)/b10-3+/t24-,27-,29?,30+/m0/s1 | 6 | |
| 527 | 52 | 48 | | | 661.2635444479998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3cc(=O)n(C)c(=O)n3C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39N3O10/c1-20-8-7-11-24(39)10-6-4-5-9-22-14-26(40)32(33(43)31(22)34(44)48-20)25(21-12-13-27-28(15-21)47-19-46-27)17-29(41)36-18-23-16-30(42)38(3)35(45)37(23)2/h5,9,12-16,20,25,40,43H,4,6-8,10-11,17-19H2,1-3H3,(H,36,41)/b9-5+/t20-,25?/m0/s1 | 5 | |
| 528 | 43 | 41 | | | 566.2992016840001 | COc1ccc(C(CC(=O)NCCN(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C32H42N2O7/c1-21-9-8-12-24(35)11-7-5-6-10-23-19-27(36)30(31(38)29(23)32(39)41-21)26(20-28(37)33-17-18-34(2)3)22-13-15-25(40-4)16-14-22/h6,10,13-16,19,21,26,36,38H,5,7-9,11-12,17-18,20H2,1-4H3,(H,33,37)/b10-6+/t21-,26?/m0/s1 | 3 | |
| 529 | 63 | 57 | | | 753.326144704 | [H][C@]12CN(C(=O)CCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C42H47N3O10/c1-25-7-5-10-30(46)9-4-2-3-8-28-18-33(47)40(41(51)39(28)42(52)55-25)31(27-13-14-34-35(19-27)54-24-53-34)20-36(48)43-16-15-37(49)44-21-26-17-29(23-44)32-11-6-12-38(50)45(32)22-26/h3,6,8,11-14,18-19,25-26,29,31,47,51H,2,4-5,7,9-10,15-17,20-24H2,1H3,(H,43,48)/b8-3+/t25-,26+,29-,31?/m0/s1 | 7 | |
| 530 | 51 | 47 | | | 663.2250507639999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCC(=O)Nc3nccs3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C34H37N3O9S/c1-20-6-5-9-23(38)8-4-2-3-7-22-16-25(39)31(32(42)30(22)33(43)46-20)24(21-10-11-26-27(17-21)45-19-44-26)18-29(41)35-13-12-28(40)37-34-36-14-15-47-34/h3,7,10-11,14-17,20,24,39,42H,2,4-6,8-9,12-13,18-19H2,1H3,(H,35,41)(H,36,37,40)/b7-3+/t20-,24?/m0/s1 | 5 | |
| 531 | 51 | 47 | | | 645.2573964479998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3ccc(O)c(O)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO10/c1-21-6-5-9-25(38)8-4-2-3-7-24-17-29(41)34(35(43)33(24)36(44)47-21)26(23-11-13-30-31(18-23)46-20-45-30)19-32(42)37-15-14-22-10-12-27(39)28(40)16-22/h3,7,10-13,16-18,21,26,39-41,43H,2,4-6,8-9,14-15,19-20H2,1H3,(H,37,42)/b7-3+/t21-,26?/m0/s1 | 5 | |
| 532 | 45 | 42 | | | 580.27846624 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCN(C)C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C32H40N2O8/c1-20-8-7-11-23(35)10-6-4-5-9-22-16-25(36)30(31(38)29(22)32(39)42-20)24(18-28(37)33-14-15-34(2)3)21-12-13-26-27(17-21)41-19-40-26/h5,9,12-13,16-17,20,24,36,38H,4,6-8,10-11,14-15,18-19H2,1-3H3,(H,33,37)/b9-5+/t20-,24?/m0/s1 | 4 | |
| 533 | 55 | 50 | | | 682.2638787959999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3nc(-c4ccccn4)no3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N4O9/c1-22-8-7-11-25(42)10-4-2-3-9-24-18-28(43)34(35(45)33(24)37(46)49-22)26(23-13-14-29-30(19-23)48-21-47-29)20-31(44)39-17-15-32-40-36(41-50-32)27-12-5-6-16-38-27/h3,5-6,9,12-14,16,18-19,22,26,43,45H,2,4,7-8,10-11,15,17,20-21H2,1H3,(H,39,44)/b9-3+/t22-,26?/m0/s1 | 6 | |
| 534 | 55 | 50 | | | 682.289030924 | COc1ccc2[nH]cc(CCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c2c1 | | InChI=1S/C39H42N2O9/c1-23-7-6-10-27(42)9-5-3-4-8-25-17-32(43)37(38(45)36(25)39(46)50-23)30(24-11-14-33-34(18-24)49-22-48-33)20-35(44)40-16-15-26-21-41-31-13-12-28(47-2)19-29(26)31/h4,8,11-14,17-19,21,23,30,41,43,45H,3,5-7,9-10,15-16,20,22H2,1-2H3,(H,40,44)/b8-4+/t23-,30?/m0/s1 | 6 | |
| 535 | 64 | 58 | | | 767.3417947679999 | [H][C@]12CN(C(=O)CCCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C43H49N3O10/c1-26-8-5-11-31(47)10-4-2-3-9-29-19-34(48)41(42(52)40(29)43(53)56-26)32(28-15-16-35-36(20-28)55-25-54-35)21-37(49)44-17-7-14-38(50)45-22-27-18-30(24-45)33-12-6-13-39(51)46(33)23-27/h3,6,9,12-13,15-16,19-20,26-27,30,32,48,52H,2,4-5,7-8,10-11,14,17-18,21-25H2,1H3,(H,44,49)/b9-3+/t26-,27+,30-,32?/m0/s1 | 7 | |
| 536 | 53 | 49 | | | 668.3097663679999 | COc1ccc(C(CC(=O)NCCc2c[nH]c3ccc(OC)cc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H44N2O8/c1-24-8-7-11-28(42)10-6-4-5-9-26-20-34(43)37(38(45)36(26)39(46)49-24)32(25-12-14-29(47-2)15-13-25)22-35(44)40-19-18-27-23-41-33-17-16-30(48-3)21-31(27)33/h5,9,12-17,20-21,23-24,32,41,43,45H,4,6-8,10-11,18-19,22H2,1-3H3,(H,40,44)/b9-5+/t24-,32?/m0/s1 | 5 | |
| 537 | 60 | 55 | | | 755.3054092599999 | COc1cc2nc(C)n(CCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(=O)c2cc1OC | | InChI=1S/C41H45N3O11/c1-23-9-8-12-27(45)11-7-5-6-10-26-17-31(46)38(39(48)37(26)41(50)55-23)28(25-13-14-32-35(18-25)54-22-53-32)20-36(47)42-15-16-44-24(2)43-30-21-34(52-4)33(51-3)19-29(30)40(44)49/h6,10,13-14,17-19,21,23,28,46,48H,5,7-9,11-12,15-16,20,22H2,1-4H3,(H,42,47)/b10-6+/t23-,28?/m0/s1 | 6 | |
| 538 | 56 | 52 | | | 728.2879853679999 | COc1ccc(C(CC(=O)NC(CCSC)c2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H44N4O8S/c1-24-10-9-13-27(44)12-6-4-5-11-26-22-32(45)35(36(47)34(26)39(48)50-24)29(25-15-17-28(49-2)18-16-25)23-33(46)41-31(19-21-52-3)38-42-37(43-51-38)30-14-7-8-20-40-30/h5,7-8,11,14-18,20,22,24,29,31,45,47H,4,6,9-10,12-13,19,21,23H2,1-3H3,(H,41,46)/b11-5+/t24-,29?,31?/m0/s1 | 5 | |
| 539 | 60 | 55 | | | 725.3312300839999 | [H][C@]12CN(C(=O)CNC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C41H47N3O9/c1-25-8-6-11-30(45)10-5-3-4-9-28-19-34(46)39(40(50)38(28)41(51)53-25)32(27-14-16-31(52-2)17-15-27)20-35(47)42-21-37(49)43-22-26-18-29(24-43)33-12-7-13-36(48)44(33)23-26/h4,7,9,12-17,19,25-26,29,32,46,50H,3,5-6,8,10-11,18,20-24H2,1-2H3,(H,42,47)/b9-4+/t25-,26+,29-,32?/m0/s1 | 6 | |
| 540 | 43 | 40 | | | 553.2311816999999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCO)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C30H35NO9/c1-18-6-5-9-21(33)8-4-2-3-7-20-14-23(34)28(29(36)27(20)30(37)40-18)22(16-26(35)31-12-13-32)19-10-11-24-25(15-19)39-17-38-24/h3,7,10-11,14-15,18,22,32,34,36H,2,4-6,8-9,12-13,16-17H2,1H3,(H,31,35)/b7-3+/t18-,22?/m0/s1 | 4 | |
| 541 | 55 | 51 | | | 698.295178924 | COc1ccc(C(CC(=O)NCCc2noc(Cn3ccccc3=O)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H42N4O9/c1-24-9-8-12-27(43)11-5-3-4-10-26-21-30(44)36(37(47)35(26)38(48)50-24)29(25-14-16-28(49-2)17-15-25)22-32(45)39-19-18-31-40-33(51-41-31)23-42-20-7-6-13-34(42)46/h4,6-7,10,13-17,20-21,24,29,44,47H,3,5,8-9,11-12,18-19,22-23H2,1-2H3,(H,39,45)/b10-4+/t24-,29?/m0/s1 | 5 | |
| 542 | 54 | 50 | | | 685.2635444479998 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(=O)Nc3ccc(C(N)=O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H39N3O10/c1-21-6-5-9-26(41)8-4-2-3-7-24-16-28(42)34(35(45)33(24)37(47)50-21)27(23-12-15-29-30(17-23)49-20-48-29)18-31(43)39-19-32(44)40-25-13-10-22(11-14-25)36(38)46/h3,7,10-17,21,27,42,45H,2,4-6,8-9,18-20H2,1H3,(H2,38,46)(H,39,43)(H,40,44)/b7-3+/t21-,27?/m0/s1 | 5 | |
| 543 | 51 | 47 | | | 646.252645416 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(=O)NCc3ccco3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H38N2O10/c1-21-7-5-10-24(38)9-4-2-3-8-23-15-27(39)33(34(42)32(23)35(43)47-21)26(22-12-13-28-29(16-22)46-20-45-28)17-30(40)37-19-31(41)36-18-25-11-6-14-44-25/h3,6,8,11-16,21,26,39,42H,2,4-5,7,9-10,17-20H2,1H3,(H,36,41)(H,37,40)/b8-3+/t21-,26?/m0/s1 | 5 | |
| 544 | 66 | 60 | | | 795.3730948959999 | [H][C@]12CN(C(=O)CCCCCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C45H53N3O10/c1-28-10-8-13-33(49)12-5-2-4-11-31-21-36(50)43(44(54)42(31)45(55)58-28)34(30-17-18-37-38(22-30)57-27-56-37)23-39(51)46-19-7-3-6-15-40(52)47-24-29-20-32(26-47)35-14-9-16-41(53)48(35)25-29/h4,9,11,14,16-18,21-22,28-29,32,34,50,54H,2-3,5-8,10,12-13,15,19-20,23-27H2,1H3,(H,46,51)/b11-4+/t28-,29+,32-,34?/m0/s1 | 7 | |
| 545 | 17 | 17 | | | 242.151809184 | CC1COC(=O)CCCCCCCCC(=O)O1 | | InChI=1S/C13H22O4/c1-11-10-16-12(14)8-6-4-2-3-5-7-9-13(15)17-11/h11H,2-10H2,1H3 | 1 | |
| 546 | 24 | 23 | | | 320.16237386800003 | C[C@H]1CCCC(O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14?/m0/s1 | 2 | |
| 547 | 62 | 60 | | | 861.5085853200001 | CCC(=O)OCCC(=O)O[C@H]1C(O[C@@H]2[C@@H](C)[C@H](OC3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)O)O[C@H](C)C[C@@H]1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)17-18-54-30(45)16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27-,28+,29-,32?,34+,35-,36-,37-,38-,40?,41?,42+,43-/m1/s1 | 3 | |
| 548 | 61 | 59 | | | 735.4405057600001 | [H][C@]1(C)[C@]([H])(OC2OC(O)CC(C)(OC)C2O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@@](C)(O)[C@]([H])(O)[C@@]([H])(C)C(=O)[C@]([H])(C)C[C@@](C)(O)[C@]1([H])OC1OC(C)CC(N(C)C)C1O | | InChI=1S/C36H65NO14/c1-13-23-36(9,45)28(41)19(4)25(39)17(2)15-34(7,44)30(51-32-26(40)22(37(10)11)14-18(3)47-32)20(5)27(21(6)31(43)48-23)50-33-29(42)35(8,46-12)16-24(38)49-33/h17-24,26-30,32-33,38,40-42,44-45H,13-16H2,1-12H3/t17-,18?,19+,20+,21-,22?,23-,24?,26?,27+,28-,29?,30-,32?,33?,34-,35?,36-/m1/s1 | 3 | |
| 549 | 42 | 40 | | | 555.283217272 | COc1ccc(CCNC(=O)COc2cc3c(c(OC)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1OC | | InChI=1S/C31H41NO8/c1-21-9-8-12-24(33)11-7-5-6-10-23-18-25(19-28(38-4)30(23)31(35)40-21)39-20-29(34)32-16-15-22-13-14-26(36-2)27(17-22)37-3/h13-14,17-19,21H,5-12,15-16,20H2,1-4H3,(H,32,34)/t21-/m0/s1 | 3 | |
| 550 | 54 | 52 | | | 747.4768912680001 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 | 3 | |
| 551 | 25 | 24 | | | 332.162373868 | COc1cc(O)cc2c1C(=O)OC(C)CCCC(=O)CCCC=C2 | | InChI=1S/C19H24O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h4,8,11-13,21H,3,5-7,9-10H2,1-2H3 | 2 | |
| 552 | 48 | 45 | | | 614.2515827960001 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)OC(C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3 | 4 | |
| 553 | 35 | 33 | | | 456.17841785599984 | COC(=O)c1ccc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCCC(C)OC3=O)o1 | | InChI=1S/C25H28O8/c1-16-7-6-10-18(26)9-5-3-4-8-17-13-20(14-21(27)23(17)25(29)32-16)31-15-19-11-12-22(33-19)24(28)30-2/h4,8,11-14,16,27H,3,5-7,9-10,15H2,1-2H3 | 3 | |
| 554 | 34 | 32 | | | 436.1885886159999 | CC1CCCC(=O)CCCC=Cc2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C26H28O6/c1-18-9-8-14-21(27)13-7-3-6-12-20-15-22(16-23(28)25(20)26(30)32-18)31-17-24(29)19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,28H,3,7-9,13-14,17H2,1H3 | 3 | |
| 555 | 44 | 41 | | | 634.0847347800002 | CC1CCCC(=O)CCCC=Cc2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3 | 4 | |
| 556 | 48 | 45 | | | 616.26723286 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)OC(C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C36H40O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h12-21,24H,4-11,22-23H2,1-3H3 | 4 | |
| 557 | 44 | 41 | | | 602.1438358600001 | CC1CCCC(=O)CCCC=Cc2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3 | 4 | |
| 558 | 44 | 41 | | | 636.1003848440001 | CC1CCCC(=O)CCCCCc2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H32Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h10-17,20H,2-9,18-19H2,1H3 | 4 | |
| 559 | 44 | 41 | | | 636.1003848439999 | CC1CCCC(=O)CCCCCc2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H32Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h10-17,20H,2-9,18-19H2,1H3 | 4 | |
| 560 | 44 | 41 | | | 634.08473478 | CC1CCCC(=O)CCCC=Cc2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3 | 4 | |
| 561 | 44 | 41 | | | 604.159485924 | CC1CCCC(=O)CCCCCc2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H32Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h6-7,12-17,20H,2-5,8-11,18-19H2,1H3 | 4 | |
| 562 | 54 | 52 | | | 748.472140236 | CCC1OC(=O)C(C)C(OC2OCC(C)(OC)C(O)C2C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NO)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(42)20(4)26(38-46)18(2)16-35(8,44)31(52-34-27(40)24(39(11)12)15-19(3)49-34)21(5)28(22(6)32(43)50-25)51-33-23(7)29(41)36(9,47-13)17-48-33/h18-25,27-31,33-34,40-42,44-46H,14-17H2,1-13H3 | 3 | |
| 563 | 53 | 51 | | | 732.4772256159999 | CCC1OC(=O)C(C)C(OC2OCC(C)(OC)C(O)C2C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=N)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O12/c1-14-25-37(10,45)30(42)20(4)26(38)18(2)16-35(8,44)31(51-34-27(40)24(39(11)12)15-19(3)48-34)21(5)28(22(6)32(43)49-25)50-33-23(7)29(41)36(9,46-13)17-47-33/h18-25,27-31,33-34,38,40-42,44-45H,14-17H2,1-13H3 | 3 | |
| 564 | 44 | 41 | | | 634.08473478 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 565 | 44 | 41 | | | 604.159485924 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H32Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h6-7,12-17,20H,2-5,8-11,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 566 | 44 | 41 | | | 636.1003848439999 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H32Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h10-17,20H,2-9,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 567 | 48 | 45 | | | 616.2672328599999 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C36H40O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h12-21,24H,4-11,22-23H2,1-3H3/t24-/m0/s1 | 4 | |
| 568 | 44 | 41 | | | 602.1438358600001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 569 | 48 | 45 | | | 614.251582796 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3/t24-/m0/s1 | 4 | |
| 570 | 44 | 41 | | | 636.1003848439999 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H32Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h10-17,20H,2-9,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 571 | 44 | 41 | | | 634.08473478 | C[C@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 572 | 24 | 23 | | | 318.146723804 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/t12-/m0/s1 | 2 | |
| 573 | 62 | 60 | | | 861.5085853199998 | CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1 | 3 | |
| 574 | 36 | 33 | | | 452.18350323599986 | COc1c2c(cc3c1C(c1ccco1)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C26H28O7/c1-16-8-6-11-18(27)10-5-3-4-9-17-14-21-24(25(30-2)23(17)26(29)32-16)19(15-22(28)33-21)20-12-7-13-31-20/h4,7,9,12-14,16,19H,3,5-6,8,10-11,15H2,1-2H3/t16-,19?/m0/s1 | 4 | |
| 575 | 44 | 40 | | | 550.2202826679999 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc2c1OCCO2 | | InChI=1S/C31H34O9/c1-18-8-7-11-21(32)10-6-4-5-9-19-14-23-28(30(36-3)27(19)31(34)39-18)22(17-26(33)40-23)20-15-24(35-2)29-25(16-20)37-12-13-38-29/h5,9,14-16,18,22H,4,6-8,10-13,17H2,1-3H3/t18-,22?/m0/s1 | 5 | |
| 576 | 46 | 41 | | | 555.225702396 | COc1c2c(cc3c1C(c1cc4cccc5c4n(c1=O)CC5)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C33H33NO7/c1-19-8-6-13-23(35)12-5-3-4-9-21-17-26-29(31(39-2)28(21)33(38)40-19)24(18-27(36)41-26)25-16-22-11-7-10-20-14-15-34(30(20)22)32(25)37/h4,7,9-11,16-17,19,24H,3,5-6,8,12-15,18H2,1-2H3/t19-,24?/m0/s1 | 6 | |
| 577 | 43 | 40 | | | 550.2566681759998 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1OC(C)C | | InChI=1S/C32H38O8/c1-19(2)38-26-16-21(14-15-25(26)36-4)24-18-28(34)40-27-17-22-11-7-6-8-12-23(33)13-9-10-20(3)39-32(35)29(22)31(37-5)30(24)27/h7,11,14-17,19-20,24H,6,8-10,12-13,18H2,1-5H3/t20-,24?/m0/s1 | 4 | |
| 578 | 40 | 37 | | | 506.19406791999984 | COC(=O)c1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C29H30O8/c1-17-7-6-10-21(30)9-5-3-4-8-20-15-23-26(27(32)25(20)29(34)36-17)22(16-24(31)37-23)18-11-13-19(14-12-18)28(33)35-2/h4,8,11-15,17,22,32H,3,5-7,9-10,16H2,1-2H3 | 4 | |
| 579 | 41 | 37 | | | 499.19948764799994 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc2ncccc2c1)CC(=O)O3 | | InChI=1S/C30H29NO6/c1-18-7-5-11-22(32)10-4-2-3-8-21-16-25-28(29(34)27(21)30(35)36-18)23(17-26(33)37-25)19-12-13-24-20(15-19)9-6-14-31-24/h3,6,8-9,12-16,18,23,34H,2,4-5,7,10-11,17H2,1H3 | 5 | |
| 580 | 48 | 44 | | | 598.2566681760001 | COc1ccc(CCOc2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCCC=C5)cc2)cc1 | | InChI=1S/C36H38O8/c1-23-7-6-10-27(37)9-5-3-4-8-26-21-31-34(35(39)33(26)36(40)43-23)30(22-32(38)44-31)25-13-17-29(18-14-25)42-20-19-24-11-15-28(41-2)16-12-24/h4,8,11-18,21,23,30,39H,3,5-7,9-10,19-20,22H2,1-2H3 | 5 | |
| 581 | 41 | 38 | | | 522.2253680479998 | COc1cc(OC)cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c1 | | InChI=1S/C30H34O8/c1-18-9-8-12-21(31)11-7-5-6-10-19-15-25-28(29(36-4)27(19)30(33)37-18)24(17-26(32)38-25)20-13-22(34-2)16-23(14-20)35-3/h6,10,13-16,18,24H,5,7-9,11-12,17H2,1-4H3/t18-,24?/m0/s1 | 4 | |
| 582 | 46 | 41 | | | 555.2257023959999 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cc2cccc4c2n(c1=O)CCC4)CC(=O)O3 | | InChI=1S/C33H33NO7/c1-19-8-5-14-23(35)13-4-2-3-9-21-17-26-29(31(37)28(21)33(39)40-19)24(18-27(36)41-26)25-16-22-11-6-10-20-12-7-15-34(30(20)22)32(25)38/h3,6,9-11,16-17,19,24,37H,2,4-5,7-8,12-15,18H2,1H3 | 6 | |
| 583 | 45 | 41 | | | 556.2097179839999 | CC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCCC=C5)o2)cc1 | | InChI=1S/C33H32O8/c1-19-7-6-10-24(35)9-5-3-4-8-23-17-28-31(32(37)30(23)33(38)39-19)25(18-29(36)41-28)27-16-15-26(40-27)22-13-11-21(12-14-22)20(2)34/h4,8,11-17,19,25,37H,3,5-7,9-10,18H2,1-2H3 | 5 | |
| 584 | 39 | 36 | | | 490.2355388079999 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc(C(C)C)cc1)CC(=O)O3 | | InChI=1S/C30H34O6/c1-18(2)20-12-14-21(15-13-20)24-17-26(32)36-25-16-22-9-5-4-6-10-23(31)11-7-8-19(3)35-30(34)27(22)29(33)28(24)25/h5,9,12-16,18-19,24,33H,4,6-8,10-11,17H2,1-3H3 | 4 | |
| 585 | 41 | 37 | | | 506.19406791999984 | COc1c2c(cc3c1C(c1ccc4c(c1)OCO4)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C29H30O8/c1-17-7-6-10-20(30)9-5-3-4-8-19-14-24-27(28(33-2)26(19)29(32)36-17)21(15-25(31)37-24)18-11-12-22-23(13-18)35-16-34-22/h4,8,11-14,17,21H,3,5-7,9-10,15-16H2,1-2H3/t17-,21?/m0/s1 | 5 | |
| 586 | 39 | 36 | | | 494.19406791999984 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)cc1O | | InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-22(34-2)21(30)13-17/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3 | 4 | |
| 587 | 43 | 40 | | | 552.2359327319998 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c(OC)c1OC | | InChI=1S/C31H36O9/c1-18-10-9-13-20(32)12-8-6-7-11-19-16-24-27(30(38-5)26(19)31(34)39-18)22(17-25(33)40-24)21-14-15-23(35-2)29(37-4)28(21)36-3/h7,11,14-16,18,22H,6,8-10,12-13,17H2,1-5H3/t18-,22?/m0/s1 | 4 | |
| 588 | 35 | 32 | | | 438.16785317199987 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccco1)CC(=O)O3 | | InChI=1S/C25H26O7/c1-15-7-5-10-17(26)9-4-2-3-8-16-13-20-23(24(28)22(16)25(29)31-15)18(14-21(27)32-20)19-11-6-12-30-19/h3,6,8,11-13,15,18,28H,2,4-5,7,9-10,14H2,1H3 | 4 | |
| 589 | 42 | 38 | | | 515.1944022679999 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cc2ccccc2nc1O)CC(=O)O3 | | InChI=1S/C30H29NO7/c1-17-8-7-12-20(32)11-4-2-3-10-19-15-24-27(28(34)26(19)30(36)37-17)21(16-25(33)38-24)22-14-18-9-5-6-13-23(18)31-29(22)35/h3,5-6,9-10,13-15,17,21,34H,2,4,7-8,11-12,16H2,1H3,(H,31,35) | 5 | |
| 590 | 42 | 38 | | | 520.2097179839999 | COc1c2c(cc3c1C(c1ccc4c(c1)OCCO4)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C30H32O8/c1-18-7-6-10-21(31)9-5-3-4-8-20-16-25-28(29(34-2)27(20)30(33)37-18)22(17-26(32)38-25)19-11-12-23-24(15-19)36-14-13-35-23/h4,8,11-12,15-16,18,22H,3,5-7,9-10,13-14,17H2,1-2H3/t18-,22?/m0/s1 | 5 | |
| 591 | 42 | 39 | | | 536.2410181119999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)cc1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-25-15-20(13-14-24(25)36-4)23-17-27(33)39-26-16-21-10-6-5-7-11-22(32)12-8-9-19(3)38-31(35)28(21)30(34)29(23)26/h6,10,13-16,18-19,23,34H,5,7-9,11-12,17H2,1-4H3 | 4 | |
| 592 | 41 | 38 | | | 520.2461034919999 | COc1c2c(cc3c1C(c1ccc(OC(C)C)cc1)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H36O7/c1-19(2)36-24-15-13-21(14-16-24)25-18-27(33)38-26-17-22-10-6-5-7-11-23(32)12-8-9-20(3)37-31(34)28(22)30(35-4)29(25)26/h6,10,13-17,19-20,25H,5,7-9,11-12,18H2,1-4H3/t20-,25?/m0/s1 | 4 | |
| 593 | 43 | 39 | | | 536.2046326039998 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)cc2c1OCCO2 | | InChI=1S/C30H32O9/c1-17-7-6-10-20(31)9-5-3-4-8-18-13-22-27(28(33)26(18)30(34)38-17)21(16-25(32)39-22)19-14-23(35-2)29-24(15-19)36-11-12-37-29/h4,8,13-15,17,21,33H,3,5-7,9-12,16H2,1-2H3 | 5 | |
| 594 | 39 | 36 | | | 494.19406791999984 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)ccc1O | | InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-21(30)22(13-17)34-2/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3 | 4 | |
| 595 | 41 | 37 | | | 526.1394455039998 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cc(Cl)c2c(c1)OCO2)CC(=O)O3 | | InChI=1S/C28H27ClO8/c1-15-6-5-9-18(30)8-4-2-3-7-16-11-21-25(26(32)24(16)28(33)36-15)19(13-23(31)37-21)17-10-20(29)27-22(12-17)34-14-35-27/h3,7,10-12,15,19,32H,2,4-6,8-9,13-14H2,1H3 | 5 | |
| 596 | 42 | 39 | | | 538.2202826679999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)c(OC)c1OC | | InChI=1S/C30H34O9/c1-17-9-8-12-19(31)11-7-5-6-10-18-15-23-26(27(33)25(18)30(34)38-17)21(16-24(32)39-23)20-13-14-22(35-2)29(37-4)28(20)36-3/h6,10,13-15,17,21,33H,5,7-9,11-12,16H2,1-4H3 | 4 | |
| 597 | 36 | 33 | | | 449.18383758399995 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cccnc1)CC(=O)O3 | | InChI=1S/C26H27NO6/c1-16-7-5-11-19(28)10-4-2-3-8-17-13-21-24(25(30)23(17)26(31)32-16)20(14-22(29)33-21)18-9-6-12-27-15-18/h3,6,8-9,12-13,15-16,20,30H,2,4-5,7,10-11,14H2,1H3 | 4 | |
| 598 | 24 | 23 | | | 318.146723804 | CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3 | 2 | |
| 599 | 53 | 51 | | | 732.4772256159999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=N)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44-45H,14-17H2,1-13H3 | 3 | |
| 600 | 46 | 42 | | | 573.2362670799998 | COc1ccc2cc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)c(=O)n(C)c2c1 | | InChI=1S/C33H35NO8/c1-19-9-8-12-22(35)11-7-5-6-10-21-16-27-30(31(40-4)29(21)33(38)41-19)24(18-28(36)42-27)25-15-20-13-14-23(39-3)17-26(20)34(2)32(25)37/h6,10,13-17,19,24H,5,7-9,11-12,18H2,1-4H3/t19-,24?/m0/s1 | 5 | |
| 601 | 42 | 39 | | | 538.2202826679999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc(OC)c1OC | | InChI=1S/C30H34O9/c1-17-9-8-12-20(31)11-7-5-6-10-18-13-22-27(28(33)26(18)30(34)38-17)21(16-25(32)39-22)19-14-23(35-2)29(37-4)24(15-19)36-3/h6,10,13-15,17,21,33H,5,7-9,11-12,16H2,1-4H3/t17-,21?/m0/s1 | 4 | |
| 602 | 45 | 41 | | | 559.2206170159999 | COc1ccc2cc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)c(=O)n(C)c2c1 | | InChI=1S/C32H33NO8/c1-18-8-7-11-21(34)10-6-4-5-9-20-15-26-29(30(36)28(20)32(38)40-18)23(17-27(35)41-26)24-14-19-12-13-22(39-3)16-25(19)33(2)31(24)37/h5,9,12-16,18,23,36H,4,6-8,10-11,17H2,1-3H3/t18-,23?/m0/s1 | 5 | |
| 603 | 42 | 38 | | | 516.2148033639999 | COc1c2c(cc3c1C(C1=Cc4ccccc4OC1)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H32O7/c1-19-9-8-13-23(32)12-5-3-4-11-21-16-26-29(30(35-2)28(21)31(34)37-19)24(17-27(33)38-26)22-15-20-10-6-7-14-25(20)36-18-22/h4,6-7,10-11,14-16,19,24H,3,5,8-9,12-13,17-18H2,1-2H3/t19-,24?/m0/s1 | 5 | |
| 604 | 43 | 40 | | | 552.2359327319998 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc(OC)c1OC | | InChI=1S/C31H36O9/c1-18-10-9-13-21(32)12-8-6-7-11-19-14-23-28(30(38-5)27(19)31(34)39-18)22(17-26(33)40-23)20-15-24(35-2)29(37-4)25(16-20)36-3/h7,11,14-16,18,22H,6,8-10,12-13,17H2,1-5H3/t18-,22?/m0/s1 | 4 | |
| 605 | 48 | 44 | | | 599.288302652 | COc1c2c(cc3c1C(c1cc4cc(C)ccc4n(CC(C)C)c1=O)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C36H41NO7/c1-21(2)20-37-29-15-14-22(3)16-25(29)17-28(35(37)40)27-19-31(39)44-30-18-24-11-7-6-8-12-26(38)13-9-10-23(4)43-36(41)32(24)34(42-5)33(27)30/h7,11,14-18,21,23,27H,6,8-10,12-13,19-20H2,1-5H3/t23-,27?/m0/s1 | 5 | |
| 606 | 41 | 38 | | | 520.2461034919999 | CC(C)COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c1 | | InChI=1S/C31H36O7/c1-19(2)18-36-24-14-8-11-21(15-24)25-17-27(33)38-26-16-22-10-5-4-6-12-23(32)13-7-9-20(3)37-31(35)28(22)30(34)29(25)26/h5,8,10-11,14-16,19-20,25,34H,4,6-7,9,12-13,17-18H2,1-3H3/t20-,25?/m0/s1 | 4 | |
| 607 | 41 | 38 | | | 520.2461034919999 | CC(C)COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C31H36O7/c1-19(2)18-36-24-14-12-21(13-15-24)25-17-27(33)38-26-16-22-9-5-4-6-10-23(32)11-7-8-20(3)37-31(35)28(22)30(34)29(25)26/h5,9,12-16,19-20,25,34H,4,6-8,10-11,17-18H2,1-3H3/t20-,25?/m0/s1 | 4 | |
| 608 | 37 | 34 | | | 462.2042386799999 | COc1c2c(cc3c1C(c1ccccc1)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C28H30O6/c1-18-10-9-15-21(29)14-8-4-7-13-20-16-23-26(27(32-2)25(20)28(31)33-18)22(17-24(30)34-23)19-11-5-3-6-12-19/h3,5-7,11-13,16,18,22H,4,8-10,14-15,17H2,1-2H3/t18-,22?/m0/s1 | 4 | |
| 609 | 40 | 37 | | | 504.2511888719999 | COc1c2c(cc3c1C(c1ccc(C(C)C)cc1)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H36O6/c1-19(2)21-13-15-22(16-14-21)25-18-27(33)37-26-17-23-10-6-5-7-11-24(32)12-8-9-20(3)36-31(34)28(23)30(35-4)29(25)26/h6,10,13-17,19-20,25H,5,7-9,11-12,18H2,1-4H3/t20-,25?/m0/s1 | 4 | |
| 610 | 42 | 39 | | | 536.2410181119999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)ccc1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-24-14-13-20(15-25(24)36-4)23-17-27(33)39-26-16-21-10-6-5-7-11-22(32)12-8-9-19(3)38-31(35)28(21)30(34)29(23)26/h6,10,13-16,18-19,23,34H,5,7-9,11-12,17H2,1-4H3/t19-,23?/m0/s1 | 4 | |
| 611 | 41 | 38 | | | 522.2253680479998 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c(OC)c1 | | InChI=1S/C30H34O8/c1-18-9-8-12-20(31)11-7-5-6-10-19-15-25-28(29(36-4)27(19)30(33)37-18)23(17-26(32)38-25)22-14-13-21(34-2)16-24(22)35-3/h6,10,13-16,18,23H,5,7-9,11-12,17H2,1-4H3/t18-,23?/m0/s1 | 4 | |
| 612 | 44 | 41 | | | 562.2566681759998 | C=C(C)COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1OC | | InChI=1S/C33H38O8/c1-20(2)19-39-26-15-14-22(16-27(26)37-4)25-18-29(35)41-28-17-23-11-7-6-8-12-24(34)13-9-10-21(3)40-33(36)30(23)32(38-5)31(25)28/h7,11,14-17,21,25H,1,6,8-10,12-13,18-19H2,2-5H3/t21-,25?/m0/s1 | 4 | |
| 613 | 41 | 38 | | | 522.2253680479998 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1OC | | InChI=1S/C30H34O8/c1-18-9-8-12-21(31)11-7-5-6-10-20-16-25-28(29(36-4)27(20)30(33)37-18)22(17-26(32)38-25)19-13-14-23(34-2)24(15-19)35-3/h6,10,13-16,18,22H,5,7-9,11-12,17H2,1-4H3/t18-,22?/m0/s1 | 4 | |
| 614 | 40 | 37 | | | 508.20971798399984 | COc1cc(OC)cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-20(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)23(16-25(31)37-24)19-12-21(34-2)15-22(13-19)35-3/h5,9,12-15,17,23,32H,4,6-8,10-11,16H2,1-3H3/t17-,23?/m0/s1 | 4 | |
| 615 | 40 | 37 | | | 506.23045342799986 | CC(C)Oc1ccccc1C1CC(=O)Oc2cc3c(c(O)c21)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3 | | InChI=1S/C30H34O7/c1-18(2)35-24-15-8-7-14-22(24)23-17-26(32)37-25-16-20-11-5-4-6-12-21(31)13-9-10-19(3)36-30(34)27(20)29(33)28(23)25/h5,7-8,11,14-16,18-19,23,33H,4,6,9-10,12-13,17H2,1-3H3/t19-,23?/m0/s1 | 4 | |
| 616 | 40 | 37 | | | 508.20971798399984 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1OC | | InChI=1S/C29H32O8/c1-17-8-7-11-20(30)10-6-4-5-9-19-15-24-27(28(32)26(19)29(33)36-17)21(16-25(31)37-24)18-12-13-22(34-2)23(14-18)35-3/h5,9,12-15,17,21,32H,4,6-8,10-11,16H2,1-3H3/t17-,21?/m0/s1 | 4 | |
| 617 | 41 | 38 | | | 524.2046326039998 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc(OC)c1O | | InChI=1S/C29H32O9/c1-16-8-7-11-19(30)10-6-4-5-9-17-12-21-26(28(33)25(17)29(34)37-16)20(15-24(31)38-21)18-13-22(35-2)27(32)23(14-18)36-3/h5,9,12-14,16,20,32-33H,4,6-8,10-11,15H2,1-3H3/t16-,20?/m0/s1 | 4 | |
| 618 | 41 | 37 | | | 506.19406791999984 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc2c(c1)OCCO2)CC(=O)O3 | | InChI=1S/C29H30O8/c1-17-6-5-9-20(30)8-4-2-3-7-19-15-24-27(28(32)26(19)29(33)36-17)21(16-25(31)37-24)18-10-11-22-23(14-18)35-13-12-34-22/h3,7,10-11,14-15,17,21,32H,2,4-6,8-9,12-13,16H2,1H3/t17-,21?/m0/s1 | 5 | |
| 619 | 39 | 36 | | | 492.21480336399986 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C29H32O7/c1-18-8-7-11-21(30)10-6-4-5-9-20-16-24-27(28(34-3)26(20)29(32)35-18)23(17-25(31)36-24)19-12-14-22(33-2)15-13-19/h5,9,12-16,18,23H,4,6-8,10-11,17H2,1-3H3/t18-,23?/m0/s1 | 4 | |
| 620 | 47 | 42 | | | 569.2413524599998 | COc1c2c(cc3c1C(c1cc4cccc5c4n(c1=O)CCC5)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C34H35NO7/c1-20-9-6-15-24(36)14-5-3-4-10-22-18-27-30(32(40-2)29(22)34(39)41-20)25(19-28(37)42-27)26-17-23-12-7-11-21-13-8-16-35(31(21)23)33(26)38/h4,7,10-12,17-18,20,25H,3,5-6,8-9,13-16,19H2,1-2H3/t20-,25?/m0/s1 | 6 | |
| 621 | 43 | 40 | | | 551.2155316359999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1OCC(N)=O | | InChI=1S/C30H33NO9/c1-17-7-6-10-20(32)9-5-3-4-8-19-14-24-28(29(35)27(19)30(36)39-17)21(15-26(34)40-24)18-11-12-22(37-2)23(13-18)38-16-25(31)33/h4,8,11-14,17,21,35H,3,5-7,9-10,15-16H2,1-2H3,(H2,31,33)/t17-,21?/m0/s1 | 4 | |
| 622 | 42 | 39 | | | 536.2410181119999 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-30-22(14-9-15-24(30)36-4)23-17-26(33)39-25-16-20-11-6-5-7-12-21(32)13-8-10-19(3)38-31(35)27(20)29(34)28(23)25/h6,9,11,14-16,18-19,23,34H,5,7-8,10,12-13,17H2,1-4H3/t19-,23?/m0/s1 | 4 | |
| 623 | 41 | 37 | | | 502.19915329999986 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(C1=Cc2ccccc2OC1)CC(=O)O3 | | InChI=1S/C30H30O7/c1-18-8-7-12-22(31)11-4-2-3-10-20-15-25-28(29(33)27(20)30(34)36-18)23(16-26(32)37-25)21-14-19-9-5-6-13-24(19)35-17-21/h3,5-6,9-10,13-15,18,23,33H,2,4,7-8,11-12,16-17H2,1H3/t18-,23?/m0/s1 | 5 | |
| 624 | 43 | 40 | | | 550.2566681759998 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-26-15-21(13-14-25(26)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,19-20,24,35H,5,7-9,11-12,17-18H2,1-4H3/t20-,24?/m0/s1 | 4 | |
| 625 | 40 | 36 | | | 492.17841785599984 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc2c(c1)OCO2)CC(=O)O3 | | InChI=1S/C28H28O8/c1-16-6-5-9-19(29)8-4-2-3-7-18-13-23-26(27(31)25(18)28(32)35-16)20(14-24(30)36-23)17-10-11-21-22(12-17)34-15-33-21/h3,7,10-13,16,20,31H,2,4-6,8-9,14-15H2,1H3/t16-,20?/m0/s1 | 5 | |
| 626 | 43 | 39 | | | 529.2100523319999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cc2ccccc2n(C)c1=O)CC(=O)O3 | | InChI=1S/C31H31NO7/c1-18-9-8-13-21(33)12-5-3-4-11-20-16-25-28(29(35)27(20)31(37)38-18)22(17-26(34)39-25)23-15-19-10-6-7-14-24(19)32(2)30(23)36/h4,6-7,10-11,14-16,18,22,35H,3,5,8-9,12-13,17H2,1-2H3/t18-,22?/m0/s1 | 5 | |
| 627 | 40 | 37 | | | 508.20971798399984 | COc1ccc(OC)c(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-19(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)22(16-25(31)37-24)21-15-20(34-2)12-13-23(21)35-3/h5,9,12-15,17,22,32H,4,6-8,10-11,16H2,1-3H3/t17-,22?/m0/s1 | 4 | |
| 628 | 43 | 40 | | | 551.2155316359999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)ccc1OCC(N)=O | | InChI=1S/C30H33NO9/c1-17-7-6-10-20(32)9-5-3-4-8-19-14-24-28(29(35)27(19)30(36)39-17)21(15-26(34)40-24)18-11-12-22(23(13-18)37-2)38-16-25(31)33/h4,8,11-14,17,21,35H,3,5-7,9-10,15-16H2,1-2H3,(H2,31,33)/t17-,21?/m0/s1 | 4 | |
| 629 | 42 | 38 | | | 514.1991532999999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc(-c2ccccc2)o1)CC(=O)O3 | | InChI=1S/C31H30O7/c1-19-9-8-14-22(32)13-7-3-6-12-21-17-26-29(30(34)28(21)31(35)36-19)23(18-27(33)38-26)25-16-15-24(37-25)20-10-4-2-5-11-20/h2,4-6,10-12,15-17,19,23,34H,3,7-9,13-14,18H2,1H3/t19-,23?/m0/s1 | 5 | |
| 630 | 43 | 39 | | | 528.2148033639999 | COc1c2c(cc3c1C(c1ccc(-c4ccccc4)o1)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C32H32O7/c1-20-10-9-15-23(33)14-8-4-7-13-22-18-27-30(31(36-2)29(22)32(35)37-20)24(19-28(34)39-27)26-17-16-25(38-26)21-11-5-3-6-12-21/h3,5-7,11-13,16-18,20,24H,4,8-10,14-15,19H2,1-2H3/t20-,24?/m0/s1 | 5 | |
| 631 | 43 | 40 | | | 550.2566681759998 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)ccc1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-25-14-13-21(15-26(25)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,19-20,24,35H,5,7-9,11-12,17-18H2,1-4H3/t20-,24?/m0/s1 | 4 | |
| 632 | 43 | 40 | | | 550.2566681759998 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-31-23(14-9-15-25(31)37-4)24-17-27(34)40-26-16-21-11-6-5-7-12-22(33)13-8-10-20(3)39-32(36)28(21)30(35)29(24)26/h6,9,11,14-16,19-20,24,35H,5,7-8,10,12-13,17-18H2,1-4H3/t20-,24?/m0/s1 | 4 | |
| 633 | 44 | 41 | | | 566.2151972879999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc(OC)c1OC(C)=O | | InChI=1S/C31H34O10/c1-17-9-8-12-21(33)11-7-5-6-10-19-13-23-28(29(35)27(19)31(36)39-17)22(16-26(34)41-23)20-14-24(37-3)30(40-18(2)32)25(15-20)38-4/h6,10,13-15,17,22,35H,5,7-9,11-12,16H2,1-4H3/t17-,22?/m0/s1 | 4 | |
| 634 | 44 | 40 | | | 542.2304534279999 | COc1c2c(cc3c1C(c1ccc(OC)c4ccccc14)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C33H34O7/c1-20-10-9-13-22(34)12-6-4-5-11-21-18-28-31(32(38-3)30(21)33(36)39-20)26(19-29(35)40-28)24-16-17-27(37-2)25-15-8-7-14-23(24)25/h5,7-8,11,14-18,20,26H,4,6,9-10,12-13,19H2,1-3H3/t20-,26?/m0/s1 | 5 | |
| 635 | 45 | 40 | | | 541.2100523319999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cc2cccc4c2n(c1=O)CC4)CC(=O)O3 | | InChI=1S/C32H31NO7/c1-18-7-5-12-22(34)11-4-2-3-8-20-16-25-28(30(36)27(20)32(38)39-18)23(17-26(35)40-25)24-15-21-10-6-9-19-13-14-33(29(19)21)31(24)37/h3,6,8-10,15-16,18,23,36H,2,4-5,7,11-14,17H2,1H3/t18-,23?/m0/s1 | 6 | |
| 636 | 43 | 39 | | | 528.2148033639999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c2ccccc12 | | InChI=1S/C32H32O7/c1-19-9-8-12-21(33)11-5-3-4-10-20-17-27-30(31(35)29(20)32(36)38-19)25(18-28(34)39-27)23-15-16-26(37-2)24-14-7-6-13-22(23)24/h4,6-7,10,13-17,19,25,35H,3,5,8-9,11-12,18H2,1-2H3/t19-,25?/m0/s1 | 5 | |
| 637 | 38 | 35 | | | 494.1763096799999 | CSc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C28H30O6S/c1-17-7-6-10-20(29)9-5-3-4-8-19-15-23-26(27(31)25(19)28(32)33-17)22(16-24(30)34-23)18-11-13-21(35-2)14-12-18/h4,8,11-15,17,22,31H,3,5-7,9-10,16H2,1-2H3/t17-,22?/m0/s1 | 4 | |
| 638 | 37 | 34 | | | 464.18350323599986 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cccc(O)c1)CC(=O)O3 | | InChI=1S/C27H28O7/c1-16-7-5-11-19(28)10-4-2-3-8-18-14-22-25(26(31)24(18)27(32)33-16)21(15-23(30)34-22)17-9-6-12-20(29)13-17/h3,6,8-9,12-14,16,21,29,31H,2,4-5,7,10-11,15H2,1H3/t16-,21?/m0/s1 | 4 | |
| 639 | 44 | 40 | | | 543.2257023959999 | COc1c2c(cc3c1C(c1cc4ccccc4n(C)c1=O)CC(=O)O3)C=CCCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C32H33NO7/c1-19-10-9-14-22(34)13-6-4-5-12-21-17-26-29(30(38-3)28(21)32(37)39-19)23(18-27(35)40-26)24-16-20-11-7-8-15-25(20)33(2)31(24)36/h5,7-8,11-12,15-17,19,23H,4,6,9-10,13-14,18H2,1-3H3/t19-,23?/m0/s1 | 5 | |
| 640 | 35 | 32 | | | 454.1450095519999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccsc1)CC(=O)O3 | | InChI=1S/C25H26O6S/c1-15-6-5-9-18(26)8-4-2-3-7-16-12-20-23(24(28)22(16)25(29)30-15)19(13-21(27)31-20)17-10-11-32-14-17/h3,7,10-12,14-15,19,28H,2,4-6,8-9,13H2,1H3/t15-,19?/m0/s1 | 4 | |
| 641 | 41 | 38 | | | 520.2097179839999 | COC(=O)c1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C30H32O8/c1-18-8-7-11-22(31)10-6-4-5-9-21-16-24-27(28(35-2)26(21)30(34)37-18)23(17-25(32)38-24)19-12-14-20(15-13-19)29(33)36-3/h5,9,12-16,18,23H,4,6-8,10-11,17H2,1-3H3/t18-,23?/m0/s1 | 4 | |
| 642 | 43 | 40 | | | 548.2410181119999 | C=C(C)COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1OC | | InChI=1S/C32H36O8/c1-19(2)18-38-25-14-13-21(15-26(25)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,20,24,35H,1,5,7-9,11-12,17-18H2,2-4H3/t20-,24?/m0/s1 | 4 | |
| 643 | 41 | 38 | | | 522.1889825399999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccccc1OCC(=O)O)CC(=O)O3 | | InChI=1S/C29H30O9/c1-17-8-7-11-19(30)10-4-2-3-9-18-14-23-27(28(34)26(18)29(35)37-17)21(15-25(33)38-23)20-12-5-6-13-22(20)36-16-24(31)32/h3,5-6,9,12-14,17,21,34H,2,4,7-8,10-11,15-16H2,1H3,(H,31,32)/t17-,21?/m0/s1 | 4 | |
| 644 | 37 | 34 | | | 464.18350323599986 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc(O)cc1)CC(=O)O3 | | InChI=1S/C27H28O7/c1-16-6-5-9-19(28)8-4-2-3-7-18-14-22-25(26(31)24(18)27(32)33-16)21(15-23(30)34-22)17-10-12-20(29)13-11-17/h3,7,10-14,16,21,29,31H,2,4-6,8-9,15H2,1H3/t16-,21?/m0/s1 | 4 | |
| 645 | 41 | 37 | | | 498.2042386799999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cccc2ccccc12)CC(=O)O3 | | InChI=1S/C31H30O6/c1-19-9-7-14-22(32)13-4-2-3-11-21-17-26-29(30(34)28(21)31(35)36-19)25(18-27(33)37-26)24-16-8-12-20-10-5-6-15-23(20)24/h3,5-6,8,10-12,15-17,19,25,34H,2,4,7,9,13-14,18H2,1H3/t19-,25?/m0/s1 | 5 | |
| 646 | 38 | 35 | | | 478.19915329999986 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c1 | | InChI=1S/C28H30O7/c1-17-8-6-12-20(29)11-5-3-4-9-19-15-23-26(27(31)25(19)28(32)34-17)22(16-24(30)35-23)18-10-7-13-21(14-18)33-2/h4,7,9-10,13-15,17,22,31H,3,5-6,8,11-12,16H2,1-2H3/t17-,22?/m0/s1 | 4 | |
| 647 | 40 | 37 | | | 508.20971798399984 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c(OC)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-19(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)22(16-25(31)37-24)21-13-12-20(34-2)15-23(21)35-3/h5,9,12-15,17,22,32H,4,6-8,10-11,16H2,1-3H3/t17-,22?/m0/s1 | 4 | |
| 648 | 48 | 44 | | | 596.27740362 | CC(C)c1ccc(COc2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)cc2)cc1 | | InChI=1S/C37H40O7/c1-23(2)26-14-12-25(13-15-26)22-42-30-18-16-27(17-19-30)31-21-33(39)44-32-20-28-9-5-4-6-10-29(38)11-7-8-24(3)43-37(41)34(28)36(40)35(31)32/h5,9,12-20,23-24,31,40H,4,6-8,10-11,21-22H2,1-3H3/t24-,31?/m0/s1 | 5 | |
| 649 | 43 | 40 | | | 550.2566681759998 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)ccc1OC(C)C | | InChI=1S/C32H38O8/c1-19(2)38-25-15-14-21(16-26(25)36-4)24-18-28(34)40-27-17-22-11-7-6-8-12-23(33)13-9-10-20(3)39-32(35)29(22)31(37-5)30(24)27/h7,11,14-17,19-20,24H,6,8-10,12-13,18H2,1-5H3/t20-,24?/m0/s1 | 4 | |
| 650 | 38 | 35 | | | 478.19915329999986 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C28H30O7/c1-17-7-6-10-20(29)9-5-3-4-8-19-15-23-26(27(31)25(19)28(32)34-17)22(16-24(30)35-23)18-11-13-21(33-2)14-12-18/h4,8,11-15,17,22,31H,3,5-7,9-10,16H2,1-2H3/t17-,22?/m0/s1 | 4 | |
| 651 | 40 | 37 | | | 506.23045342799986 | CC(C)Oc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c1 | | InChI=1S/C30H34O7/c1-18(2)35-23-14-8-11-20(15-23)24-17-26(32)37-25-16-21-10-5-4-6-12-22(31)13-7-9-19(3)36-30(34)27(21)29(33)28(24)25/h5,8,10-11,14-16,18-19,24,33H,4,6-7,9,12-13,17H2,1-3H3/t19-,24?/m0/s1 | 4 | |
| 652 | 39 | 36 | | | 492.21480336399986 | COc1ccccc1C1CC(=O)Oc2cc3c(c(OC)c21)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3 | | InChI=1S/C29H32O7/c1-18-10-9-13-20(30)12-6-4-5-11-19-16-24-27(28(34-3)26(19)29(32)35-18)22(17-25(31)36-24)21-14-7-8-15-23(21)33-2/h5,7-8,11,14-16,18,22H,4,6,9-10,12-13,17H2,1-3H3/t18-,22?/m0/s1 | 4 | |
| 653 | 40 | 37 | | | 506.23045342799986 | CC(C)Oc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C30H34O7/c1-18(2)35-23-14-12-20(13-15-23)24-17-26(32)37-25-16-21-9-5-4-6-10-22(31)11-7-8-19(3)36-30(34)27(21)29(33)28(24)25/h5,9,12-16,18-19,24,33H,4,6-8,10-11,17H2,1-3H3/t19-,24?/m0/s1 | 4 | |
| 654 | 39 | 36 | | | 492.17841785599984 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc(C(=O)O)cc1)CC(=O)O3 | | InChI=1S/C28H28O8/c1-16-6-5-9-20(29)8-4-2-3-7-19-14-22-25(26(31)24(19)28(34)35-16)21(15-23(30)36-22)17-10-12-18(13-11-17)27(32)33/h3,7,10-14,16,21,31H,2,4-6,8-9,15H2,1H3,(H,32,33)/t16-,21?/m0/s1 | 4 | |
| 655 | 46 | 42 | | | 572.2046326039998 | COC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)o2)cc1 | | InChI=1S/C33H32O9/c1-19-7-6-10-23(34)9-5-3-4-8-22-17-27-30(31(36)29(22)33(38)40-19)24(18-28(35)42-27)26-16-15-25(41-26)20-11-13-21(14-12-20)32(37)39-2/h4,8,11-17,19,24,36H,3,5-7,9-10,18H2,1-2H3/t19-,24?/m0/s1 | 5 | |
| 656 | 47 | 43 | | | 586.2202826679999 | COC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)o2)cc1 | | InChI=1S/C34H34O9/c1-20-8-7-11-24(35)10-6-4-5-9-23-18-28-31(32(39-2)30(23)34(38)41-20)25(19-29(36)43-28)27-17-16-26(42-27)21-12-14-22(15-13-21)33(37)40-3/h5,9,12-18,20,25H,4,6-8,10-11,19H2,1-3H3/t20-,25?/m0/s1 | 5 | |
| 657 | 50 | 46 | | | 630.210111908 | COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)o2)c1 | | InChI=1S/C35H34O11/c1-19-8-7-11-24(36)10-6-4-5-9-20-17-28-31(32(38)30(20)35(41)44-19)25(18-29(37)46-28)27-13-12-26(45-27)21-14-22(33(39)42-2)16-23(15-21)34(40)43-3/h5,9,12-17,19,25,38H,4,6-8,10-11,18H2,1-3H3/t19-,25?/m0/s1 | 5 | |
| 658 | 49 | 45 | | | 612.27231824 | COc1ccc(CCOc2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)cc2)cc1 | | InChI=1S/C37H40O8/c1-24-8-7-11-28(38)10-6-4-5-9-27-22-32-35(36(42-3)34(27)37(40)44-24)31(23-33(39)45-32)26-14-18-30(19-15-26)43-21-20-25-12-16-29(41-2)17-13-25/h5,9,12-19,22,24,31H,4,6-8,10-11,20-21,23H2,1-3H3/t24-,31?/m0/s1 | 5 | |
| 659 | 51 | 47 | | | 644.225761972 | COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)o2)c1 | | InChI=1S/C36H36O11/c1-20-9-8-12-25(37)11-7-5-6-10-21-18-29-32(33(42-2)31(21)36(41)45-20)26(19-30(38)47-29)28-14-13-27(46-28)22-15-23(34(39)43-3)17-24(16-22)35(40)44-4/h6,10,13-18,20,26H,5,7-9,11-12,19H2,1-4H3/t20-,26?/m0/s1 | 5 | |
| 660 | 17 | 17 | | | 241.167793596 | O=C1CCCCCCCCC(=NO)CCCO1 | | InChI=1S/C13H23NO3/c15-13-10-6-4-2-1-3-5-8-12(14-16)9-7-11-17-13/h16H,1-11H2 | 1 | |
| 661 | 41 | 38 | | | 521.2049669519998 | CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc(OCC(N)=O)cc1)CC(=O)O3 | | InChI=1S/C29H31NO8/c1-17-6-5-9-20(31)8-4-2-3-7-19-14-23-27(28(34)26(19)29(35)37-17)22(15-25(33)38-23)18-10-12-21(13-11-18)36-16-24(30)32/h3,7,10-14,17,22,34H,2,4-6,8-9,15-16H2,1H3,(H2,30,32) | 4 | |
| 662 | 24 | 23 | | | 322.1780239319999 | C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1 | 2 | |
| 663 | 38 | 35 | | | 478.19915329999986 | COc1ccccc1C1CC(=O)Oc2cc3c(c(O)c21)C(=O)OC(C)CCCC(=O)CCCC=C3 | | InChI=1S/C28H30O7/c1-17-9-8-12-19(29)11-5-3-4-10-18-15-23-26(27(31)25(18)28(32)34-17)21(16-24(30)35-23)20-13-6-7-14-22(20)33-2/h4,6-7,10,13-15,17,21,31H,3,5,8-9,11-12,16H2,1-2H3 | 4 | |
| 664 | 54 | 51 | | | 731.481976648 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)CC2(C)OC1(C)C2O | | InChI=1S/C38H69NO12/c1-15-26-38(10)34(43)37(9,51-38)18-20(2)17-36(8,45-14)31(50-33-28(40)25(39(11)12)16-21(3)46-33)22(4)29(23(5)32(42)48-26)49-27-19-35(7,44-13)30(41)24(6)47-27/h20-31,33-34,40-41,43H,15-19H2,1-14H3 | 5 | |
| 665 | 22 | 22 | | | 308.198759376 | CO[C@H]1C=C[C@@](C)(O)C=CC(=O)O[C@H](C)[C@@H](C)CCC=C1C | | InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/t13-,15+,16-,18+/m0/s1 | 1 | |
| 666 | 29 | 27 | | | 364.0713659439999 | [H][C@]12C=CC=CC(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O[C@H](C)C[C@]1([H])O2 | | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14+,15+/m1/s1 | 3 | |
| 667 | 27 | 26 | | | 364.1522031079999 | COc1cc(O)c2c(c1)CCC[C@@H](O)[C@H](O)C(=O)C=CC[C@H](C)OC2=O | | InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3,7,9-11,15,18,21-23H,4-6,8H2,1-2H3/t11-,15+,18+/m0/s1 | 2 | |
| 668 | 29 | 29 | | | 429.21850883999997 | COC1C=CC(C)(O)C(SCC(N)C(=O)O)CC(=O)OC(C)C(C)CCC=C1C | | InChI=1S/C21H35NO6S/c1-13-7-6-8-14(2)17(27-5)9-10-21(4,26)18(11-19(23)28-15(13)3)29-12-16(22)20(24)25/h8-10,13,15-18,26H,6-7,11-12,22H2,1-5H3,(H,24,25) | 1 | |
| 669 | 60 | 56 | | | 804.2324230480001 | COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=CCOC(=O)CC3C(C(=O)OC)=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=CCOC(=O)CC12 | | InChI=1S/C34H44O22/c1-47-29(45)17-11-51-31(55-33-27(43)25(41)23(39)19(9-35)53-33)13-3-5-50-22(38)8-16-14(4-6-49-21(37)7-15(13)17)32(52-12-18(16)30(46)48-2)56-34-28(44)26(42)24(40)20(10-36)54-34/h3-4,11-12,15-16,19-20,23-28,31-36,39-44H,5-10H2,1-2H3/t15?,16?,19-,20-,23-,24-,25+,26+,27-,28-,31?,32?,33+,34+/m1/s1 | 5 | |
| 670 | 25 | 25 | | | 350.20932406 | CCC1OC(=O)C(C)CC(C)C(=O)C(C)=CC(C)C(=O)C=CC1(C)O | | InChI=1S/C20H30O5/c1-7-17-20(6,24)9-8-16(21)12(2)10-13(3)18(22)14(4)11-15(5)19(23)25-17/h8-10,12,14-15,17,24H,7,11H2,1-6H3 | 1 | |
| 671 | 25 | 24 | | | 334.14163842399995 | CC1CC=CC(O)C(O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O6/c1-11-5-4-8-15(21)14(20)7-3-2-6-12-9-13(19)10-16(22)17(12)18(23)24-11/h2,4,6,8-11,14-15,19-22H,3,5,7H2,1H3 | 2 | |
| 672 | 58 | 54 | | | 761.2530989160001 | CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | | InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1 | 5 | |
| 673 | 34 | 32 | | | 436.188588616 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C26H28O6/c1-18-9-8-14-21(27)13-7-3-6-12-20-15-22(16-23(28)25(20)26(30)32-18)31-17-24(29)19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,28H,3,7-9,13-14,17H2,1H3/b12-6+/t18-/m0/s1 | 3 | |
| 674 | 48 | 45 | | | 614.251582796 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3/b9-5+/t24-/m0/s1 | 4 | |
| 675 | 44 | 41 | | | 604.1594859239999 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H32Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h6-7,12-17,20H,2-5,8-11,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 676 | 44 | 41 | | | 602.14383586 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3/b9-3+/t20-/m0/s1 | 4 | |
| 677 | 48 | 45 | | | 616.2672328599999 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C36H40O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h12-21,24H,4-11,22-23H2,1-3H3/t24-/m0/s1 | 4 | |
| 678 | 44 | 41 | | | 634.08473478 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1 | 4 | |
| 679 | 44 | 41 | | | 636.100384844 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H32Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h10-17,20H,2-9,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 680 | 24 | 23 | | | 318.14672380400003 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 | 2 | |
| 681 | 41 | 38 | | | 555.1418089139999 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(F)[C@@H]2OC(=O)CCCOC1=O | | InChI=1S/C23H27FN3O10P/c1-14-20(30)33-12-6-9-18(29)36-19-16(13-34-38(32,26-14)37-15-7-4-3-5-8-15)35-21(23(19,2)24)27-11-10-17(28)25-22(27)31/h3-5,7-8,10-11,14,16,19,21H,6,9,12-13H2,1-2H3,(H,26,32)(H,25,28,31)/t14-,16+,19+,21+,23+,38-/m0/s1 | 4 | |
| 682 | 41 | 38 | | | 558.13272145 | C[C@@H]1N[P@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2OC(=O)CCCOC1=O | | InChI=1S/C22H25F2N4O9P/c1-13-19(30)33-11-5-8-17(29)36-18-15(12-34-38(32,27-13)37-14-6-3-2-4-7-14)35-20(22(18,23)24)28-10-9-16(25)26-21(28)31/h2-4,6-7,9-10,13,15,18,20H,5,8,11-12H2,1H3,(H,27,32)(H2,25,26,31)/t13-,15+,18+,20+,38+/m0/s1 | 4 | |
| 683 | 39 | 36 | | | 523.1355806619998 | C[C@@H]1N[P@@](=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2OC(=O)CCCOC1=O | | InChI=1S/C22H26N3O10P/c1-14-21(28)31-11-5-8-20(27)34-16-12-19(25-10-9-18(26)23-22(25)29)33-17(16)13-32-36(30,24-14)35-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16-17,19H,5,8,11-13H2,1H3,(H,24,30)(H,23,26,29)/t14-,16-,17+,19+,36-/m0/s1 | 4 | |
| 684 | 64 | 60 | | | 844.4746205 | CC[C@@H]1OC(=O)[C@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C | | InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26-,27+,31+,32+,34-,35-,37-,38+,41-,42-,43-/m1/s1 | 5 | |
| 685 | 57 | 56 | | | 831.4381364100001 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O.O=P(O)(O)O | | InChI=1S/C37H67NO13.H3O4P/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-5(2,3)4/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;(H3,1,2,3,4) | 3 | |
| 686 | 74 | 67 | | | 954.380463616 | COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@@H](O[C@H]2[C@H](O)C[C@H](OC3CCCC4C3C=CC3CCCCC=CC5C=C(C(=O)O)C(C)C6OC(=O)C(=C(O)C56)OC(=O)C34C)O[C@@H]2C)O[C@H](C)[C@H]1O | | InChI=1S/C50H63ClO16/c1-23-30(46(55)56)20-27-12-9-7-8-10-13-28-16-17-29-31(50(28,5)49(59)67-45-42(54)40(27)43(23)66-48(45)58)14-11-15-34(29)63-37-21-33(52)44(26(4)62-37)65-38-22-36(41(53)25(3)61-38)64-47(57)39-24(2)32(51)18-19-35(39)60-6/h9,12,16-20,23,25-29,31,33-34,36-38,40-41,43-44,52-54H,7-8,10-11,13-15,21-22H2,1-6H3,(H,55,56)/t23?,25-,26-,27?,28?,29?,31?,33-,34?,36-,37+,38-,40?,41-,43?,44-,50?/m1/s1 | 8 | |
| 687 | 63 | 60 | | | 834.5453051760002 | [H]C12O[C@H](COCCOC)N[C@@]([H])([C@H](C)C[C@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)O)[C@@H]2C | | InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37?,39+,40+,41-,42-/m1/s1 | 4 | |
| 688 | 67 | 64 | | | 834.5453051759999 | [H][C@]1(O[C@@]2([H])[C@H](C)[C@@H](O[C@]3([H])O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@]([H])(C)[C@]3([H])N[C@@H](COCCOC)O[C@]([H])(C3C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@](C)(OC)[C@@H](O)[C@H](C)O1 | | InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24?,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1 | 4 | |
| 689 | 60 | 58 | | | 836.5245697319999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36-,38?,39-,40?,41-/m1/s1 | 3 | |
| 690 | 24 | 23 | | | 320.16237386800003 | C[C@H]1CCC[C@@H](O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/t12-,14-/m0/s1 | 2 | |
| 691 | 24 | 23 | | | 320.16237386800003 | C[C@H]1CCC[C@H](O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/t12-,14+/m0/s1 | 2 | |
| 692 | 27 | 26 | | | 364.15220310799987 | COc1cc(O)c2c(c1)C=CCC(O)C(O)C(O)C=CCC(C)OC2=O | | InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3 | 2 | |
| 693 | 61 | 57 | | | 765.420045088 | [H][C@@]1(O[C@@H]2[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]3(C)OC(=O)N[C@]3([H])[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC/C=C\c2cnc3ccccc3c2)O[C@H](C)C[C@H](N(C)C)[C@H]1O | | InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14-/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1 | 5 | |
| 694 | 72 | 66 | | | 920.2851273160001 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)C3[C@@H](OC(=O)c4ccco4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | | InChI=1S/C45H48N2O19/c1-21-22(2)38(52)65-35-33(60-24(4)49)37(62-26(6)51)44(20-58-23(3)48)36(61-25(5)50)32(63-39(53)27-12-9-15-46-18-27)30-34(64-41(55)29-14-11-17-57-29)45(44,43(35,8)56)66-42(30,7)19-59-40(54)28-13-10-16-47-31(21)28/h9-18,21-22,30,32-37,56H,19-20H2,1-8H3/t21?,22?,30?,32-,33+,34-,35+,36-,37+,42+,43+,44-,45+/m1/s1 | 7 | |
| 695 | 54 | 51 | | | 730.4615755519999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C2(C)CC(C)C(=N[C@H](C)[C@@H](O)[C@]1(C)O)O2 | | InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/t18?,19-,20+,21-,22-,23-,24+,25-,26?,27-,28+,29-,30-,31-,34?,35+,36?,37-/m1/s1 | 4 | |
| 696 | 62 | 57 | | | 782.3890793080002 | COc1cc(C(CC(=O)NCC2(Cc3nnc4ccccn34)CCCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C44H54N4O9/c1-28-14-13-17-31(49)16-8-5-7-15-29-22-33(50)40(41(52)39(29)43(53)57-28)32(30-23-34(54-2)42(56-4)35(24-30)55-3)25-38(51)45-27-44(19-10-6-11-20-44)26-37-47-46-36-18-9-12-21-48(36)37/h7,9,12,15,18,21-24,28,32,50,52H,5-6,8,10-11,13-14,16-17,19-20,25-27H2,1-4H3,(H,45,51)/t28-,32?/m0/s1 | 6 | |
| 697 | 55 | 53 | | | 785.396271598 | COC1CC(O[C@H]2[C@H](C)[C@@H](OC3OC(C)CC([NH+](C)C)C3O)[C@@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)OC(C)C1O.O=P([O-])(O)O | | InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17?,18-,19+,20+,21+,22+,23?,24?,25?,26?,27-,28?,29?,30-,31-,34?,35-;/m0./s1 | 4 | |
| 698 | 36 | 33 | | | 448.1885886159999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccccc1)CC(=O)O3 | | InChI=1S/C27H28O6/c1-17-9-8-14-20(28)13-7-3-6-12-19-15-22-25(26(30)24(19)27(31)32-17)21(16-23(29)33-22)18-10-4-2-5-11-18/h2,4-6,10-12,15,17,21,30H,3,7-9,13-14,16H2,1H3/t17-,21?/m0/s1 | 4 | |
| 699 | 46 | 43 | | | 614.2758793959998 | COc1cc(OCC(O)C[NH+]2CC3CC(C2)c2cccc(=O)n2C3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCC=C2.[Cl-] | | InChI=1S/C33H42N2O7.ClH/c1-22-8-6-11-26(36)10-5-3-4-9-24-15-28(16-30(40-2)32(24)33(39)42-22)41-21-27(37)20-34-17-23-14-25(19-34)29-12-7-13-31(38)35(29)18-23;/h4,7,9,12-13,15-16,22-23,25,27,37H,3,5-6,8,10-11,14,17-21H2,1-2H3;1H/t22-,23?,25?,27?;/m0./s1 | 5 | |
| 700 | 33 | 32 | | | 459.217636248 | CC1CCCC(NCCc2ccccc2)CCCC=Cc2cc(O)cc(O)c2C(=O)O1.Cl | | InChI=1S/C26H33NO4.ClH/c1-19-9-8-14-22(27-16-15-20-10-4-2-5-11-20)13-7-3-6-12-21-17-23(28)18-24(29)25(21)26(30)31-19;/h2,4-6,10-12,17-19,22,27-29H,3,7-9,13-16H2,1H3;1H | 3 | |
| 701 | 27 | 26 | | | 364.152203108 | COc1cc(O)c2c(c1)C=CC[C@@H](O)[C@@H](O)C(=O)CCC[C@H](C)OC2=O | | InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/t11-,15+,18-/m0/s1 | 2 | |
| 702 | 24 | 23 | | | 320.162373868 | CC1CCCC(O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3 | 2 | |
| 703 | 53 | 51 | | | 732.4772256159999 | CCC1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)C(=N)C(C)[C@@H](O)[C@@]1(C)O | | InChI=1S/C37H68N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44-45H,14-17H2,1-13H3/t18-,19?,20?,21?,22+,23?,24?,25?,26?,28?,29+,30+,31?,32-,34?,35-,36?,37-/m0/s1 | 3 | |
| 704 | 54 | 52 | | | 748.4721402359999 | CCC1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)C(=NO)C(C)[C@@H](O)[C@@]1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/t18-,19?,20?,21?,22+,23?,24?,25?,26?,28?,29+,30+,31?,32-,34?,35-,36?,37-/m0/s1 | 3 | |
| 705 | 67 | 62 | | | 873.2691429039999 | CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34O[C@@]2(C)COC(=O)c2cccnc2[C@@H](C)C(C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(=O)c2ccoc2)[C@@H]1OC(C)=O)[C@]4(C)O | | InChI=1S/C41H47NO20/c1-18-27-25(11-10-13-42-27)35(49)54-16-37(7)26-28(56-19(2)43)32(59-22(5)46)40(17-55-34(48)24-12-14-53-15-24)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(26)58-21(4)45/h10-15,18,26,28-33,51-52H,16-17H2,1-9H3/t18-,26-,28-,29+,30-,31+,32-,33+,37+,38?,39+,40-,41+/m1/s1 | 6 | |
| 706 | 61 | 57 | | | 805.279313664 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | | InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16?,17?,25-,27-,28+,29-,30+,31-,32+,35+,36+,37-,38+/m1/s1 | 5 | |
| 707 | 24 | 23 | | | 320.162373868 | C[C@H]1CCCC(O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/t12-,14?/m0/s1 | 2 | |
| 708 | 60 | 55 | | | 775.3138657679999 | COc1ccc(C(CC(=O)NCCS(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C41H49N3O10S/c1-26-8-6-11-31(45)10-5-3-4-9-29-21-35(46)39(40(49)38(29)41(50)54-26)33(28-14-16-32(53-2)17-15-28)22-36(47)42-18-19-55(51,52)43-23-27-20-30(25-43)34-12-7-13-37(48)44(34)24-27/h4,7,9,12-17,21,26-27,30,33,46,49H,3,5-6,8,10-11,18-20,22-25H2,1-2H3,(H,42,47)/t26-,27?,30?,33?/m0/s1 | 6 | |
| 709 | 59 | 54 | | | 739.346880148 | COc1ccc(C(CC(=O)N[C@@H](C)C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C42H49N3O9/c1-25-9-7-12-31(46)11-6-4-5-10-29-20-35(47)39(40(50)38(29)42(52)54-25)33(28-15-17-32(53-3)18-16-28)21-36(48)43-26(2)41(51)44-22-27-19-30(24-44)34-13-8-14-37(49)45(34)23-27/h5,8,10,13-18,20,25-27,30,33,47,50H,4,6-7,9,11-12,19,21-24H2,1-3H3,(H,43,48)/t25-,26-,27?,30?,33?/m0/s1 | 6 | |
| 710 | 52 | 50 | | | 717.466326584 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C | | InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1 | 3 | |
| 711 | 57 | 56 | | | 792.444211236 | N#CS.[H][C@@]1(OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H]1C | | InChI=1S/C37H67NO13.CHNS/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;2-1-3/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3H/t18-,19-,20+,21+,22-,23+,24+,25-,26?,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1 | 3 | |
| 712 | 46 | 41 | | | 555.2257023959999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cc2cccc4c2n(c1=O)CCC4)CC(=O)O3 | | InChI=1S/C33H33NO7/c1-19-8-5-14-23(35)13-4-2-3-9-21-17-26-29(31(37)28(21)33(39)40-19)24(18-27(36)41-26)25-16-22-11-6-10-20-12-7-15-34(30(20)22)32(25)38/h3,6,9-11,16-17,19,24,37H,2,4-5,7-8,12-15,18H2,1H3/t19-,24?/m0/s1 | 6 | |
| 713 | 42 | 39 | | | 538.2202826679999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c(OC)c1OC | | InChI=1S/C30H34O9/c1-17-9-8-12-19(31)11-7-5-6-10-18-15-23-26(27(33)25(18)30(34)38-17)21(16-24(32)39-23)20-13-14-22(35-2)29(37-4)28(20)36-3/h6,10,13-15,17,21,33H,5,7-9,11-12,16H2,1-4H3/t17-,21?/m0/s1 | 4 | |
| 714 | 39 | 36 | | | 494.19406791999984 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1O | | InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-22(34-2)21(30)13-17/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3/t16-,20?/m0/s1 | 4 | |
| 715 | 43 | 39 | | | 536.2046326039998 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc2c1OCCO2 | | InChI=1S/C30H32O9/c1-17-7-6-10-20(31)9-5-3-4-8-18-13-22-27(28(33)26(18)30(34)38-17)21(16-25(32)39-22)19-14-23(35-2)29-24(15-19)36-11-12-37-29/h4,8,13-15,17,21,33H,3,5-7,9-12,16H2,1-2H3/t17-,21?/m0/s1 | 5 | |
| 716 | 66 | 61 | | | 859.371380644 | COc1cc(C(CC(=O)N[C@@H](CCSC)C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C46H57N3O11S/c1-27-11-9-14-32(50)13-8-6-7-12-29-20-36(51)42(43(54)41(29)46(56)60-27)33(30-21-37(57-2)44(59-4)38(22-30)58-3)23-39(52)47-34(17-18-61-5)45(55)48-24-28-19-31(26-48)35-15-10-16-40(53)49(35)25-28/h7,10,12,15-16,20-22,27-28,31,33-34,51,54H,6,8-9,11,13-14,17-19,23-26H2,1-5H3,(H,47,52)/t27-,28?,31?,33?,34-/m0/s1 | 6 | |
| 717 | 62 | 57 | | | 785.352359452 | COc1cc(C(CC(=O)NCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C43H51N3O11/c1-25-10-8-13-30(47)12-7-5-6-11-27-17-33(48)40(41(52)39(27)43(53)57-25)31(28-18-34(54-2)42(56-4)35(19-28)55-3)20-36(49)44-21-38(51)45-22-26-16-29(24-45)32-14-9-15-37(50)46(32)23-26/h6,9,11,14-15,17-19,25-26,29,31,48,52H,5,7-8,10,12-13,16,20-24H2,1-4H3,(H,44,49)/t25-,26?,29?,31?/m0/s1 | 6 | |
| 718 | 61 | 56 | | | 767.378180276 | COc1ccc(C(CC(=O)N[C@H](C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)C(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C44H53N3O9/c1-26(2)41(43(53)46-23-28-20-31(25-46)35-14-9-15-38(51)47(35)24-28)45-37(50)22-34(29-16-18-33(55-4)19-17-29)40-36(49)21-30-11-6-5-7-12-32(48)13-8-10-27(3)56-44(54)39(30)42(40)52/h6,9,11,14-19,21,26-28,31,34,41,49,52H,5,7-8,10,12-13,20,22-25H2,1-4H3,(H,45,50)/t27-,28?,31?,34?,41-/m0/s1 | 6 | |
| 719 | 51 | 48 | | | 689.2505968159999 | COc1cc(C(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C34H43NO12S/c1-19-9-8-12-22(36)11-7-5-6-10-20-13-25(37)31(32(40)30(20)34(41)47-19)23(16-29(39)35-24-17-48(42,43)18-26(24)38)21-14-27(44-2)33(46-4)28(15-21)45-3/h6,10,13-15,19,23-24,26,37-38,40H,5,7-9,11-12,16-18H2,1-4H3,(H,35,39)/t19-,23?,24-,26+/m0/s1 | 4 | |
| 720 | 66 | 61 | | | 841.414959708 | COc1cc(C(CC(=O)NCCCCCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C47H59N3O11/c1-29-13-11-16-34(51)15-8-5-7-14-31-22-37(52)44(45(56)43(31)47(57)61-29)35(32-23-38(58-2)46(60-4)39(24-32)59-3)25-40(53)48-20-10-6-9-18-41(54)49-26-30-21-33(28-49)36-17-12-19-42(55)50(36)27-30/h7,12,14,17,19,22-24,29-30,33,35,52,56H,5-6,8-11,13,15-16,18,20-21,25-28H2,1-4H3,(H,48,53)/t29-,30?,33?,35?/m0/s1 | 6 | |
| 721 | 60 | 55 | | | 753.362530212 | COc1ccc(C(CC(=O)NCCCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C43H51N3O9/c1-27-9-6-12-32(47)11-5-3-4-10-30-22-36(48)41(42(52)40(30)43(53)55-27)34(29-16-18-33(54-2)19-17-29)23-37(49)44-20-8-15-38(50)45-24-28-21-31(26-45)35-13-7-14-39(51)46(35)25-28/h4,7,10,13-14,16-19,22,27-28,31,34,48,52H,3,5-6,8-9,11-12,15,20-21,23-26H2,1-2H3,(H,44,49)/t27-,28?,31?,34?/m0/s1 | 6 | |
| 722 | 64 | 58 | | | 795.373094896 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCCCCC(=O)N3CC4CC(C3)c3cccc(=O)n3C4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C45H53N3O10/c1-28-10-8-13-33(49)12-5-2-4-11-31-21-36(50)43(44(54)42(31)45(55)58-28)34(30-17-18-37-38(22-30)57-27-56-37)23-39(51)46-19-7-3-6-15-40(52)47-24-29-20-32(26-47)35-14-9-16-41(53)48(35)25-29/h4,9,11,14,16-18,21-22,28-29,32,34,50,54H,2-3,5-8,10,12-13,15,19-20,23-27H2,1H3,(H,46,51)/t28-,29?,32?,34?/m0/s1 | 7 | |
| 723 | 66 | 60 | | | 815.378180276 | COc1ccc(C(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C48H53N3O9/c1-30-11-9-16-36(52)15-8-4-7-14-34-25-41(53)45(46(56)44(34)48(58)60-30)38(33-19-21-37(59-2)22-20-33)26-42(54)49-39(24-31-12-5-3-6-13-31)47(57)50-27-32-23-35(29-50)40-17-10-18-43(55)51(40)28-32/h3,5-7,10,12-14,17-22,25,30,32,35,38-39,53,56H,4,8-9,11,15-16,23-24,26-29H2,1-2H3,(H,49,54)/t30-,32?,35?,38?,39-/m0/s1 | 7 | |
| 724 | 53 | 51 | | | 733.4612412039999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C(C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)C1(C)O | | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23-,24+,25-,26?,28-,29+,30-,31-,32-,34?,35?,36+,37?/m1/s1 | 3 | |
| 725 | 42 | 39 | | | 536.2410181119999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-25-15-20(13-14-24(25)36-4)23-17-27(33)39-26-16-21-10-6-5-7-11-22(32)12-8-9-19(3)38-31(35)28(21)30(34)29(23)26/h6,10,13-16,18-19,23,34H,5,7-9,11-12,17H2,1-4H3/t19-,23?/m0/s1 | 4 | |
| 726 | 45 | 41 | | | 556.2097179839999 | CC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)o2)cc1 | | InChI=1S/C33H32O8/c1-19-7-6-10-24(35)9-5-3-4-8-23-17-28-31(32(37)30(23)33(38)39-19)25(18-29(36)41-28)27-16-15-26(40-27)22-13-11-21(12-14-22)20(2)34/h4,8,11-17,19,25,37H,3,5-7,9-10,18H2,1-2H3/t19-,25?/m0/s1 | 5 | |
| 727 | 58 | 53 | | | 725.3312300839999 | COc1ccc(C(CC(=O)NCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C41H47N3O9/c1-25-8-6-11-30(45)10-5-3-4-9-28-19-34(46)39(40(50)38(28)41(51)53-25)32(27-14-16-31(52-2)17-15-27)20-35(47)42-21-37(49)43-22-26-18-29(24-43)33-12-7-13-36(48)44(33)23-26/h4,7,9,12-17,19,25-26,29,32,46,50H,3,5-6,8,10-11,18,20-24H2,1-2H3,(H,42,47)/t25-,26?,29?,32?/m0/s1 | 6 | |
| 728 | 42 | 38 | | | 515.1944022679999 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cc2ccccc2[nH]c1=O)CC(=O)O3 | | InChI=1S/C30H29NO7/c1-17-8-7-12-20(32)11-4-2-3-10-19-15-24-27(28(34)26(19)30(36)37-17)21(16-25(33)38-24)22-14-18-9-5-6-13-23(18)31-29(22)35/h3,5-6,9-10,13-15,17,21,34H,2,4,7-8,11-12,16H2,1H3,(H,31,35)/t17-,21?/m0/s1 | 5 | |
| 729 | 40 | 37 | | | 506.19406791999984 | COC(=O)c1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C29H30O8/c1-17-7-6-10-21(30)9-5-3-4-8-20-15-23-26(27(32)25(20)29(34)36-17)22(16-24(31)37-23)18-11-13-19(14-12-18)28(33)35-2/h4,8,11-15,17,22,32H,3,5-7,9-10,16H2,1-2H3/t17-,22?/m0/s1 | 4 | |
| 730 | 41 | 37 | | | 526.1394455039998 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cc(Cl)c2c(c1)OCO2)CC(=O)O3 | | InChI=1S/C28H27ClO8/c1-15-6-5-9-18(30)8-4-2-3-7-16-11-21-25(26(32)24(16)28(33)36-15)19(13-23(31)37-21)17-10-20(29)27-22(12-17)34-14-35-27/h3,7,10-12,15,19,32H,2,4-6,8-9,13-14H2,1H3/t15-,19?/m0/s1 | 5 | |
| 731 | 61 | 55 | | | 753.3261447039998 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCC(=O)N3CC4CC(C3)c3cccc(=O)n3C4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C42H47N3O10/c1-25-7-5-10-30(46)9-4-2-3-8-28-18-33(47)40(41(51)39(28)42(52)55-25)31(27-13-14-34-35(19-27)54-24-53-34)20-36(48)43-16-15-37(49)44-21-26-17-29(23-44)32-11-6-12-38(50)45(32)22-26/h3,6,8,11-14,18-19,25-26,29,31,47,51H,2,4-5,7,9-10,15-17,20-24H2,1H3,(H,43,48)/t25-,26?,29?,31?/m0/s1 | 7 | |
| 732 | 62 | 56 | | | 767.341794768 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCCC(=O)N3CC4CC(C3)c3cccc(=O)n3C4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C43H49N3O10/c1-26-8-5-11-31(47)10-4-2-3-9-29-19-34(48)41(42(52)40(29)43(53)56-26)32(28-15-16-35-36(20-28)55-25-54-35)21-37(49)44-17-7-14-38(50)45-22-27-18-30(24-45)33-12-6-13-39(51)46(33)23-27/h3,6,9,12-13,15-16,19-20,26-27,30,32,48,52H,2,4-5,7-8,10-11,14,17-18,21-25H2,1H3,(H,44,49)/t26-,27?,30?,32?/m0/s1 | 7 | |
| 733 | 63 | 57 | | | 781.3574448319998 | CC(C)[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H51N3O10/c1-25(2)41(43(53)46-21-27-17-30(23-46)33-13-8-14-38(51)47(33)22-27)45-37(50)20-32(28-15-16-35-36(19-28)56-24-55-35)40-34(49)18-29-10-5-4-6-11-31(48)12-7-9-26(3)57-44(54)39(29)42(40)52/h5,8,10,13-16,18-19,25-27,30,32,41,49,52H,4,6-7,9,11-12,17,20-24H2,1-3H3,(H,45,50)/t26-,27?,30?,32?,41-/m0/s1 | 7 | |
| 734 | 55 | 53 | | | 785.3962715980001 | CO[C@H]1C[C@@H](O[C@H]2[C@H](C)[C@@H](OC3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O.O=P(O)(O)O | | InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31-,34?,35-;/m0./s1 | 4 | |
| 735 | 63 | 58 | | | 799.368009516 | COc1cc(C(CC(=O)NCCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C44H53N3O11/c1-26-10-8-13-31(48)12-7-5-6-11-28-19-34(49)41(42(53)40(28)44(54)58-26)32(29-20-35(55-2)43(57-4)36(21-29)56-3)22-37(50)45-17-16-38(51)46-23-27-18-30(25-46)33-14-9-15-39(52)47(33)24-27/h6,9,11,14-15,19-21,26-27,30,32,49,53H,5,7-8,10,12-13,16-18,22-25H2,1-4H3,(H,45,50)/t26-,27?,30?,32?/m0/s1 | 6 | |
| 736 | 66 | 61 | | | 841.414959708 | COc1cc(C(CC(=O)N[C@@H](CC(C)C)C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C47H59N3O11/c1-27(2)18-35(46(56)49-24-29-19-32(26-49)36-16-11-17-41(54)50(36)25-29)48-40(53)23-34(31-21-38(58-4)45(60-6)39(22-31)59-5)43-37(52)20-30-13-8-7-9-14-33(51)15-10-12-28(3)61-47(57)42(30)44(43)55/h8,11,13,16-17,20-22,27-29,32,34-35,52,55H,7,9-10,12,14-15,18-19,23-26H2,1-6H3,(H,48,53)/t28-,29?,32?,34?,35-/m0/s1 | 6 | |
| 737 | 62 | 57 | | | 781.39383034 | COc1ccc(C(CC(=O)NCCCCCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C45H55N3O9/c1-29-11-9-14-34(49)13-6-3-5-12-32-24-38(50)43(44(54)42(32)45(55)57-29)36(31-18-20-35(56-2)21-19-31)25-39(51)46-22-8-4-7-16-40(52)47-26-30-23-33(28-47)37-15-10-17-41(53)48(37)27-30/h5,10,12,15,17-21,24,29-30,33,36,50,54H,3-4,6-9,11,13-14,16,22-23,25-28H2,1-2H3,(H,46,51)/t29-,30?,33?,36?/m0/s1 | 6 | |
| 738 | 59 | 54 | | | 739.346880148 | COc1ccc(C(CC(=O)NCCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C42H49N3O9/c1-26-8-6-11-31(46)10-5-3-4-9-29-21-35(47)40(41(51)39(29)42(52)54-26)33(28-14-16-32(53-2)17-15-28)22-36(48)43-19-18-37(49)44-23-27-20-30(25-44)34-12-7-13-38(50)45(34)24-27/h4,7,9,12-17,21,26-27,30,33,47,51H,3,5-6,8,10-11,18-20,22-25H2,1-2H3,(H,43,48)/t26-,27?,30?,33?/m0/s1 | 6 | |
| 739 | 70 | 64 | | | 875.399309644 | COc1cc(C(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C50H57N3O11/c1-30-13-11-18-36(54)17-10-6-9-16-33-23-40(55)46(47(58)45(33)50(60)64-30)37(34-24-41(61-2)48(63-4)42(25-34)62-3)26-43(56)51-38(22-31-14-7-5-8-15-31)49(59)52-27-32-21-35(29-52)39-19-12-20-44(57)53(39)28-32/h5,7-9,12,14-16,19-20,23-25,30,32,35,37-38,55,58H,6,10-11,13,17-18,21-22,26-29H2,1-4H3,(H,51,56)/t30-,32?,35?,37?,38-/m0/s1 | 7 | |
| 740 | 64 | 59 | | | 835.3349951359999 | COc1cc(C(CC(=O)NCCS(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C43H53N3O12S/c1-26-10-8-13-31(47)12-7-5-6-11-28-19-34(48)40(41(51)39(28)43(52)58-26)32(29-20-35(55-2)42(57-4)36(21-29)56-3)22-37(49)44-16-17-59(53,54)45-23-27-18-30(25-45)33-14-9-15-38(50)46(33)24-27/h6,9,11,14-15,19-21,26-27,30,32,48,51H,5,7-8,10,12-13,16-18,22-25H2,1-4H3,(H,44,49)/t26-,27?,30?,32?/m0/s1 | 6 | |
| 741 | 65 | 60 | | | 827.3993096439999 | COc1cc(C(CC(=O)N[C@H](C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)C(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C46H57N3O11/c1-26(2)42(45(55)48-23-28-18-31(25-48)34-16-11-17-39(53)49(34)24-28)47-38(52)22-33(30-20-36(57-4)44(59-6)37(21-30)58-5)41-35(51)19-29-13-8-7-9-14-32(50)15-10-12-27(3)60-46(56)40(29)43(41)54/h8,11,13,16-17,19-21,26-28,31,33,42,51,54H,7,9-10,12,14-15,18,22-25H2,1-6H3,(H,47,52)/t27-,28?,31?,33?,42-/m0/s1 | 6 | |
| 742 | 62 | 57 | | | 799.350251276 | COc1ccc(C(CC(=O)N[C@@H](CCSC)C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C44H53N3O9S/c1-27-9-7-12-32(48)11-6-4-5-10-30-22-37(49)41(42(52)40(30)44(54)56-27)34(29-15-17-33(55-2)18-16-29)23-38(50)45-35(19-20-57-3)43(53)46-24-28-21-31(26-46)36-13-8-14-39(51)47(36)25-28/h5,8,10,13-18,22,27-28,31,34-35,49,52H,4,6-7,9,11-12,19-21,23-26H2,1-3H3,(H,45,50)/t27-,28?,31?,34?,35-/m0/s1 | 6 | |
| 743 | 61 | 55 | | | 753.3261447039998 | C[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2 | | InChI=1S/C42H47N3O10/c1-24-8-6-11-30(46)10-5-3-4-9-28-17-33(47)39(40(50)38(28)42(52)55-24)31(27-14-15-34-35(18-27)54-23-53-34)19-36(48)43-25(2)41(51)44-20-26-16-29(22-44)32-12-7-13-37(49)45(32)21-26/h4,7,9,12-15,17-18,24-26,29,31,47,50H,3,5-6,8,10-11,16,19-23H2,1-2H3,(H,43,48)/t24-,25-,26?,29?,31?/m0/s1 | 7 | |
| 744 | 64 | 59 | | | 813.3836595799999 | COc1cc(C(CC(=O)NCCCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C45H55N3O11/c1-27-11-8-14-32(49)13-7-5-6-12-29-20-35(50)42(43(54)41(29)45(55)59-27)33(30-21-36(56-2)44(58-4)37(22-30)57-3)23-38(51)46-18-10-17-39(52)47-24-28-19-31(26-47)34-15-9-16-40(53)48(34)25-28/h6,9,12,15-16,20-22,27-28,31,33,50,54H,5,7-8,10-11,13-14,17-19,23-26H2,1-4H3,(H,46,51)/t27-,28?,31?,33?/m0/s1 | 6 | |
| 745 | 39 | 36 | | | 494.19406791999984 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)ccc1O | | InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-21(30)22(13-17)34-2/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3/t16-,20?/m0/s1 | 4 | |
| 746 | 36 | 33 | | | 449.18383758399995 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cccnc1)CC(=O)O3 | | InChI=1S/C26H27NO6/c1-16-7-5-11-19(28)10-4-2-3-8-17-13-21-24(25(30)23(17)26(31)32-16)20(14-22(29)33-21)18-9-6-12-27-15-18/h3,6,8-9,12-13,15-16,20,30H,2,4-5,7,10-11,14H2,1H3/t16-,20?/m0/s1 | 4 | |
| 747 | 41 | 38 | | | 521.2049669519998 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc(OCC(N)=O)cc1)CC(=O)O3 | | InChI=1S/C29H31NO8/c1-17-6-5-9-20(31)8-4-2-3-7-19-14-23-27(28(34)26(19)29(35)37-17)22(15-25(33)38-23)18-10-12-21(13-11-18)36-16-24(30)32/h3,7,10-14,17,22,34H,2,4-6,8-9,15-16H2,1H3,(H2,30,32)/t17-,22?/m0/s1 | 4 | |
| 748 | 48 | 44 | | | 598.2566681760001 | COc1ccc(CCOc2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)cc2)cc1 | | InChI=1S/C36H38O8/c1-23-7-6-10-27(37)9-5-3-4-8-26-21-31-34(35(39)33(26)36(40)43-23)30(22-32(38)44-31)25-13-17-29(18-14-25)42-20-19-24-11-15-28(41-2)16-12-24/h4,8,11-18,21,23,30,39H,3,5-7,9-10,19-20,22H2,1-2H3/t23-,30?/m0/s1 | 5 | |
| 749 | 41 | 37 | | | 499.19948764799994 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccc2ncccc2c1)CC(=O)O3 | | InChI=1S/C30H29NO6/c1-18-7-5-11-22(32)10-4-2-3-8-21-16-25-28(29(34)27(21)30(35)36-18)23(17-26(33)37-25)19-12-13-24-20(15-19)9-6-14-31-24/h3,6,8-9,12-16,18,23,34H,2,4-5,7,10-11,17H2,1H3/t18-,23?/m0/s1 | 5 | |
| 750 | 35 | 32 | | | 438.16785317199987 | C[C@H]1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1ccco1)CC(=O)O3 | | InChI=1S/C25H26O7/c1-15-7-5-10-17(26)9-4-2-3-8-16-13-20-23(24(28)22(16)25(29)31-15)18(14-21(27)32-20)19-11-6-12-30-19/h3,6,8,11-13,15,18,28H,2,4-5,7,9-10,14H2,1H3/t15-,18?/m0/s1 | 4 | |
| 751 | 39 | 36 | | | 490.2355388079999 | CC(C)c1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)cc1 | | InChI=1S/C30H34O6/c1-18(2)20-12-14-21(15-13-20)24-17-26(32)36-25-16-22-9-5-4-6-10-23(31)11-7-8-19(3)35-30(34)27(22)29(33)28(24)25/h5,9,12-16,18-19,24,33H,4,6-8,10-11,17H2,1-3H3/t19-,24?/m0/s1 | 4 | |
| 752 | 64 | 58 | | | 813.329515832 | CSCC[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H51N3O10S/c1-26-8-6-11-31(48)10-5-3-4-9-29-19-35(49)41(42(52)40(29)44(54)57-26)32(28-14-15-36-37(20-28)56-25-55-36)21-38(50)45-33(16-17-58-2)43(53)46-22-27-18-30(24-46)34-12-7-13-39(51)47(34)23-27/h4,7,9,12-15,19-20,26-27,30,32-33,49,52H,3,5-6,8,10-11,16-18,21-25H2,1-2H3,(H,45,50)/t26-,27?,30?,32?,33-/m0/s1 | 7 | |
| 753 | 63 | 58 | | | 799.368009516 | COc1cc(C(CC(=O)N[C@@H](C)C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C44H53N3O11/c1-25-11-9-14-31(48)13-8-6-7-12-28-18-34(49)40(41(52)39(28)44(54)58-25)32(29-19-35(55-3)42(57-5)36(20-29)56-4)21-37(50)45-26(2)43(53)46-22-27-17-30(24-46)33-15-10-16-38(51)47(33)23-27/h7,10,12,15-16,18-20,25-27,30,32,49,52H,6,8-9,11,13-14,17,21-24H2,1-5H3,(H,45,50)/t25-,26-,27?,30?,32?/m0/s1 | 6 | |
| 754 | 62 | 57 | | | 781.3938303399999 | COc1ccc(C(CC(=O)N[C@@H](CC(C)C)C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C45H55N3O9/c1-27(2)20-36(44(54)47-24-29-21-32(26-47)37-14-9-15-40(52)48(37)25-29)46-39(51)23-35(30-16-18-34(56-4)19-17-30)42-38(50)22-31-11-6-5-7-12-33(49)13-8-10-28(3)57-45(55)41(31)43(42)53/h6,9,11,14-19,22,27-29,32,35-36,50,53H,5,7-8,10,12-13,20-21,23-26H2,1-4H3,(H,46,51)/t28-,29?,32?,35?,36-/m0/s1 | 6 | |
| 755 | 31 | 29 | | | 395.176644028 | [H][C@]12C[C@@]([H])(CC[C@H](C)C=CCCC(C)=CC(=O)O1)O[C@@](O)(C1CSC(=O)N1)C2 | | InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/t13-,15-,16-,17?,20-/m1/s1 | 3 | |
| 756 | 56 | 53 | | | 759.4405057600001 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C2OC(=O)OC12C | | InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3 | 4 | |
| 757 | 38 | 35 | | | 481.282823348 | C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)CCC(O)CCCC(C)CC=CC3C1O | | InChI=1S/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34) | 4 | |
| 758 | 20 | 20 | | | 284.12598836 | CC1CC=CC(=O)OC(C)CC(O)C(O)C=CC(=O)O1 | | InChI=1S/C14H20O6/c1-9-4-3-5-13(17)20-10(2)8-12(16)11(15)6-7-14(18)19-9/h3,5-7,9-12,15-16H,4,8H2,1-2H3 | 1 | |
| 759 | 74 | 67 | | | 998.3299480360001 | COc1ccc(Br)c(C)c1C(=O)OC1CC(OC2C(O)CC(OC3CCCC4C3C=CC3CCCCC=CC5C=C(C(=O)O)C(C)CC56OC(=O)C(=C6O)OC(=O)C34C)OC2C)OC(C)C1O | | InChI=1S/C50H63BrO16/c1-24-23-50-29(20-31(24)45(55)56)13-10-8-7-9-12-28-16-17-30-32(49(28,5)48(59)66-43(44(50)54)47(58)67-50)14-11-15-35(30)63-38-21-34(52)42(27(4)62-38)65-39-22-37(41(53)26(3)61-39)64-46(57)40-25(2)33(51)18-19-36(40)60-6/h10,13,16-20,24,26-30,32,34-35,37-39,41-42,52-54H,7-9,11-12,14-15,21-23H2,1-6H3,(H,55,56) | 8 | |
| 760 | 39 | 36 | | | 477.2515232199999 | [H]C12C(Cc3ccccc3)NC(=O)C13OC(=O)C=CC(=O)CCCC(C)CC=CC3C(O)C(=C)C2C | | InChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34) | 4 | |
| 761 | 52 | 50 | | | 717.466326584 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C | | InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3 | 3 | |
| 762 | 54 | 52 | | | 719.44559114 | [H]C1(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3([H])OC(C)CC(NC)C3O)C2C)CC(C)(OC)C(O)C(C)O1 | | InChI=1S/C36H65NO13/c1-13-24-36(10,44)29(40)19(4)26(38)17(2)15-34(8,43)31(50-33-27(39)23(37-11)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-35(9,45-12)30(41)22(7)47-25/h17-25,27-31,33,37,39-41,43-44H,13-16H2,1-12H3 | 3 | |
| 763 | 56 | 54 | | | 749.456155824 | [H]C1(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3([H])OC(C)CC([N+](C)(C)[O-])C3O)C2C)CC(C)(OC)C(O)C(C)O1 | | InChI=1S/C37H67NO14/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(52-34-28(40)24(38(11,12)46)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 | 3 | |
| 764 | 74 | 67 | | | 954.380463616 | COc1ccc(Cl)c(C)c1C(=O)OC1CC(OC2C(O)CC(OC3CCCC4C3C=CC3CCCCC=CC5C=C(C(=O)O)C(C)CC56OC(O)=C(OC(=O)C34C)C6=O)OC2C)OC(C)C1O | | InChI=1S/C50H63ClO16/c1-24-23-50-29(20-31(24)45(55)56)13-10-8-7-9-12-28-16-17-30-32(49(28,5)48(59)66-43(44(50)54)47(58)67-50)14-11-15-35(30)63-38-21-34(52)42(27(4)62-38)65-39-22-37(41(53)26(3)61-39)64-46(57)40-25(2)33(51)18-19-36(40)60-6/h10,13,16-20,24,26-30,32,34-35,37-39,41-42,52-53,58H,7-9,11-12,14-15,21-23H2,1-6H3,(H,55,56) | 8 | |
| 765 | 54 | 52 | | | 719.44559114 | [H]C1(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3([H])OC(C)CC(N(C)C)C3O)C2C)CC(C)(O)C(O)C(C)O1 | | InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3 | 3 | |
| 766 | 60 | 58 | | | 836.5245697319999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36+,38?,39-,40?,41-/m1/s1 | 3 | |
| 767 | 29 | 27 | | | 378.13146766399984 | COc1cc(O)c2c(c1)C(O)C(O)CC1OC1C(=O)C=CCC(C)OC2=O | | InChI=1S/C19H22O8/c1-9-4-3-5-12(20)18-15(27-18)8-14(22)17(23)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3 | 3 | |
| 768 | 38 | 37 | | | 525.3301674639999 | CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)C=C[C@]1(C)O | | InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1 | 2 | |
| 769 | 73 | 67 | | | 930.3058627600002 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(=O)c4ccccc4)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(=O)c1cccnc1)C2OC(C)=O)C4(C)O | | InChI=1S/C47H50N2O18/c1-23-24(2)40(54)66-37-35(64-42(56)30-16-12-18-48-20-30)39(63-28(6)53)46(22-59-25(3)50)38(62-27(5)52)34(61-26(4)51)32-36(65-41(55)29-14-10-9-11-15-29)47(46,45(37,8)58)67-44(32,7)21-60-43(57)31-17-13-19-49-33(23)31/h9-20,23-24,32,34-39,58H,21-22H2,1-8H3 | 7 | |
| 770 | 20 | 20 | | | 284.12598836 | C[C@@H]1CC=CC(=O)O[C@H](C)C[C@@H](O)[C@H](O)C=CC(=O)O1 | | InChI=1S/C14H20O6/c1-9-4-3-5-13(17)20-10(2)8-12(16)11(15)6-7-14(18)19-9/h3,5-7,9-12,15-16H,4,8H2,1-2H3/t9-,10-,11-,12-/m1/s1 | 1 | |
| 771 | 36 | 35 | | | 489.2726525879999 | CO[C@H]1C=CCCC=CC(=O)OC([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O | | InChI=1S/C27H39NO7/c1-17-14-18(2)27(35-25(32)13-8-6-5-7-12-22(34-4)26(17)33)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/t17-,19-,22+,26+,27?/m1/s1 | 2 | |
| 772 | 53 | 51 | | | 733.4612412039999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36+,37-/m1/s1 | 3 | |
| 773 | 24 | 23 | | | 322.1780239319999 | C[C@H]1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14?/m0/s1 | 2 | |
| 774 | 72 | 66 | | | 920.2851273160001 | CC(=O)OCC12C(OC(C)=O)C(OC(=O)c3cccnc3)C3C(OC(=O)c4ccco4)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O | | InChI=1S/C45H48N2O19/c1-21-22(2)38(52)65-35-33(60-24(4)49)37(62-26(6)51)44(20-58-23(3)48)36(61-25(5)50)32(63-39(53)27-12-9-15-46-18-27)30-34(64-41(55)29-14-11-17-57-29)45(44,43(35,8)56)66-42(30,7)19-59-40(54)28-13-10-16-47-31(21)28/h9-18,21-22,30,32-37,56H,19-20H2,1-8H3 | 7 | |
| 775 | 61 | 57 | | | 805.2793136640001 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O | | InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3 | 5 | |
| 776 | 54 | 52 | | | 749.456155824 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H67NO14/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(52-34-28(40)24(38(11,12)46)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | |
| 777 | 20 | 20 | | | 284.12598836 | C[C@@H]1OC(=O)C=C[C@@H](O)CC[C@H](C)OC(=O)C=C[C@H]1O | | InChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-12,15-16H,3-4H2,1-2H3/t9-,10-,11-,12+/m0/s1 | 1 | |
| 778 | 27 | 26 | | | 362.136553044 | COc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)C(=O)C=CC[C@H](C)OC2=O | | InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/t11-,15-,18+/m0/s1 | 2 | |
| 779 | 60 | 57 | | | 813.4510704439999 | COC1CC(OC2C(C)C(=O)OC(C)C(C)C(OC(C)=O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3OC(C)=O)C2C)OC(C)C1OC(C)=O | | InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3 | 4 | |
| 780 | 59 | 55 | | | 765.420045088 | CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C2NC(=O)OC12C | | InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50) | 5 | |
| 781 | 73 | 68 | | | 961.3215724000003 | COC(=O)CC1C(=O)CCC(C)C(=O)OC2C3C(OC(C)=O)C45OC3(C)COC(=O)c3cnccc3C(C)C(C)(O)C(=O)OC(C(OC(C)=O)C(OC(C)=O)C4(COC1=O)C2OC(C)=O)C5(C)O | | InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3 | 6 | |
| 782 | 55 | 54 | | | 792.444211236 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.N#CS | | InChI=1S/C37H67NO13.CHNS/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;2-1-3/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3H/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1 | 3 | |
| 783 | 41 | 38 | | | 538.1686410199998 | CC=C1C2OC=C(C(=O)OC)C1CC(=O)OCC(c1ccc(O)c(O)c1)OCC1OC(O2)C(O)C(O)C1O | | InChI=1S/C25H30O13/c1-3-12-13-7-19(28)35-9-17(11-4-5-15(26)16(27)6-11)34-10-18-20(29)21(30)22(31)25(37-18)38-24(12)36-8-14(13)23(32)33-2/h3-6,8,13,17-18,20-22,24-27,29-31H,7,9-10H2,1-2H3 | 4 | |
| 784 | 53 | 51 | | | 733.4612412039999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | |
| 785 | 59 | 55 | | | 765.420045088 | CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C | | InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1 | 5 | |
| 786 | 55 | 53 | | | 785.3962715980001 | COC1CC(OC2C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O.O=P(O)(O)O | | InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4) | 4 | |
| 787 | 55 | 53 | | | 761.456155824 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C=O)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C38H67NO14/c1-14-26-38(10,46)31(43)21(4)28(41)19(2)16-37(9,48-13)33(53-35-29(42)25(39(11)18-40)15-20(3)49-35)22(5)30(23(6)34(45)51-26)52-27-17-36(8,47-12)32(44)24(7)50-27/h18-27,29-33,35,42-44,46H,14-17H2,1-13H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | |
| 788 | 53 | 51 | | | 734.4928756800001 | CCC1OC(=O)[C@H](C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25?,26+,27+,28-,29?,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | |
| 789 | 55 | 53 | | | 762.4877903 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=NO)C(C)C(O)C1(C)O | | InChI=1S/C38H70N2O13/c1-15-26-38(10,45)31(42)21(4)28(39-46)19(2)17-37(9,48-14)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-36(8,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3 | 3 | |
| 790 | 56 | 53 | | | 759.44050576 | CC[C@@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)C(OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@]12C | | InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25+,26?,28-,29+,30+,31?,32-,34?,36+,37-,38-/m1/s1 | 4 | |
| 791 | 55 | 53 | | | 761.4925413320002 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(OC)C1(C)O | | InChI=1S/C39H71NO13/c1-16-27-39(10,45)34(46-13)22(4)29(41)20(2)18-38(9,48-15)33(53-36-30(42)26(40(11)12)17-21(3)49-36)23(5)31(24(6)35(44)51-27)52-28-19-37(8,47-14)32(43)25(7)50-28/h20-28,30-34,36,42-43,45H,16-19H2,1-15H3 | 3 | |
| 792 | 47 | 41 | | | 598.071586904 | COc1cccc2c1Oc1cc(ccc1O)[C@H](O)[C@@]13SS[C@@]4(C(=O)N1C)[C@H](O)C1=COC=C[C@H](OC2=O)[C@@H]1N4C3=O | | InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-9-8-16-19(14)29(27)25(35)26(28,40-41-27)21(31)12-6-7-15(30)18(10-12)38-20-13(23(33)39-16)4-3-5-17(20)36-2/h3-11,16,19,21-22,30-32H,1-2H3/t16-,19+,21-,22+,26-,27+/m0/s1 | 8 | |
| 793 | 55 | 53 | | | 762.4877902999999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)C(=NOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C38H70N2O13/c1-15-26-38(10,46)31(42)21(4)28(39-48-14)19(2)17-36(8,45)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-37(9,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3/t19-,20?,21+,22?,23-,24?,25?,26-,27?,29?,30+,31-,32?,33-,35?,36-,37?,38-/m1/s1 | 3 | |
| 794 | 41 | 40 | | | 571.3720322759999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O | | InChI=1S/C30H53NO9/c1-12-22-29(7,36)14-16(2)23(32)17(3)15-30(8,37-11)26(19(5)24(33)20(6)27(35)39-22)40-28-25(34)21(31(9)10)13-18(4)38-28/h14,17-22,24-26,28,33-34,36H,12-13,15H2,1-11H3/t17-,18-,19+,20-,21+,22-,24+,25-,26-,28+,29+,30+/m1/s1 | 2 | |
| 795 | 74 | 67 | | | 954.3804636160003 | COc1ccc(Cl)c(C)c1C(=O)OC1CC(OC2C(O)CC(O[C@H]3CCC[C@@H]4[C@@H]3C=C[C@H]3CCCCC=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)OC(=O)[C@@]43C)OC2C)OC(C)C1O | | InChI=1S/C50H63ClO16/c1-24-23-50-29(20-31(24)45(55)56)13-10-8-7-9-12-28-16-17-30-32(49(28,5)48(59)66-43(44(50)54)47(58)67-50)14-11-15-35(30)63-38-21-34(52)42(27(4)62-38)65-39-22-37(41(53)26(3)61-39)64-46(57)40-25(2)33(51)18-19-36(40)60-6/h10,13,16-20,24,26-30,32,34-35,37-39,41-42,52-54H,7-9,11-12,14-15,21-23H2,1-6H3,(H,55,56)/t24-,26?,27?,28-,29-,30+,32-,34?,35+,37?,38?,39?,41?,42?,49-,50+/m1/s1 | 8 | |
| 796 | 54 | 52 | | | 749.456155824 | CC[C@H]1OC(=O)[C@H](CO)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H67NO14/c1-13-25-37(9,46)30(42)20(4)27(40)18(2)15-35(7,45)32(52-34-28(41)24(38(10)11)14-19(3)48-34)21(5)29(23(17-39)33(44)50-25)51-26-16-36(8,47-12)31(43)22(6)49-26/h18-26,28-32,34,39,41-43,45-46H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | |
| 797 | 54 | 52 | | | 751.4518193920001 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1 | 3 | |
| 798 | 27 | 25 | | | 364.071365944 | C[C@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14+,15+/m0/s1 | 3 | |
| 799 | 62 | 58 | | | 811.4731432800002 | CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C | | InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27-,28+,29-,32+,33-,36-,37-,38-,40?,42+,43-/m1/s1 | 5 | |
| 800 | 58 | 56 | | | 762.4877903000001 | [H]C1(OC2([H])C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NOC)C(C)CC(C)(O)C(OC3([H])OC(C)CC(N(C)C)C3O)C2C)CC(C)(OC)C(O)C(C)O1 | | InChI=1S/C38H70N2O13/c1-15-26-38(10,46)31(42)21(4)28(39-48-14)19(2)17-36(8,45)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-37(9,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3 | 3 | |
| 801 | 27 | 25 | | | 364.071365944 | C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | 3 | |
| 802 | 24 | 23 | | | 318.146723804 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/t12-/m0/s1 | 2 | |
| 803 | 38 | 35 | | | 477.2515232199999 | C=C1[C@@H](C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C=CC(=O)CCC[C@@H](C)CC=C[C@H]3[C@@H]1O | | InChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,23+,24+,26?,27-,29-/m1/s1 | 4 | |
| 804 | 38 | 35 | | | 481.282823348 | C=C1[C@@H](C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@@H](C)CC=C[C@H]3[C@@H]1O | | InChI=1S/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)/t18-,19-,22-,23+,24+,26?,27-,29-/m1/s1 | 4 | |
| 805 | 38 | 35 | | | 479.2671732839999 | C=C1[C@@H](C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C=C[C@H](O)CCC[C@@H](C)CC=C[C@H]3[C@@H]1O | | InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,22-,23+,24+,26?,27-,29-/m1/s1 | 4 | |
| 806 | 54 | 52 | | | 748.4721402359999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27+/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | |
| 807 | 55 | 53 | | | 762.4877902999999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C38H70N2O13/c1-15-26-38(10,46)31(42)21(4)28(39-48-14)19(2)17-36(8,45)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-37(9,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3/b39-28+/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | |
| 808 | 67 | 62 | | | 873.2691429040001 | CC(=O)OC1C2C(OC(C)=O)C34OC2(C)COC(=O)c2cccnc2C(C)C(C)(O)C(=O)OC(C(OC(C)=O)C(OC(C)=O)C3(COC(=O)c2ccoc2)C1OC(C)=O)C4(C)O | | InChI=1S/C41H47NO20/c1-18-27-25(11-10-13-42-27)35(49)54-16-37(7)26-28(56-19(2)43)32(59-22(5)46)40(17-55-34(48)24-12-14-53-15-24)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(26)58-21(4)45/h10-15,18,26,28-33,51-52H,16-17H2,1-9H3 | 6 | |
| 809 | 58 | 54 | | | 763.26874898 | CC(=O)OCC12C(OC(C)=O)C(O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O | | InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3 | 5 | |
| 810 | 60 | 58 | | | 836.5245697319999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36-,38?,39-,40?,41-/m1/s1 | 3 | |
| 811 | 74 | 67 | | | 954.380463616 | COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](O)C[C@H](O[C@H]3CCC[C@@H]4[C@@H]3C=C[C@H]3CCCCC=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)OC(=O)[C@@]43C)O[C@@H]2C)O[C@H](C)[C@H]1O | | InChI=1S/C50H63ClO16/c1-24-23-50-29(20-31(24)45(55)56)13-10-8-7-9-12-28-16-17-30-32(49(28,5)48(59)66-43(44(50)54)47(58)67-50)14-11-15-35(30)63-38-21-34(52)42(27(4)62-38)65-39-22-37(41(53)26(3)61-39)64-46(57)40-25(2)33(51)18-19-36(40)60-6/h10,13,16-20,24,26-30,32,34-35,37-39,41-42,52-54H,7-9,11-12,14-15,21-23H2,1-6H3,(H,55,56)/t24-,26-,27-,28-,29-,30+,32-,34-,35+,37-,38+,39+,41-,42-,49-,50+/m1/s1 | 8 | |
| 812 | 73 | 67 | | | 929.3106137920001 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(=O)c4ccccc4)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccccc1)C4(C)O | | InChI=1S/C48H51NO18/c1-24-25(2)41(54)65-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(64-42(55)30-16-11-9-12-17-30)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3 | 7 | |
| 813 | 67 | 62 | | | 867.2949637280001 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccccc1)C4(C)O | | InChI=1S/C43H49NO18/c1-20-21(2)37(50)60-34-32(57-24(5)47)36(61-38(51)27-14-11-10-12-15-27)42(19-54-22(3)45)35(59-26(7)49)31(56-23(4)46)29-33(58-25(6)48)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3 | 6 | |
| 814 | 56 | 53 | | | 759.4405057600001 | CCC1OC(=O)[C@H](C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@]12C | | InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25?,26+,28-,29?,30+,31-,32-,34+,36-,37-,38-/m1/s1 | 4 | |
| 815 | 66 | 63 | | | 834.5453051760002 | [H][C@]1(OC2[C@@H](C)C(=O)OC(CC)[C@@](C)(O)[C@]3([H])O[C@H](COCCOC)N[C@@]([H])([C@H](C)C[C@@](C)(O)[C@]([H])(O[C@]4([H])O[C@H](C)C[C@H](N(C)C)[C@H]4O)[C@H]2C)[C@@H]3C)C[C@@](C)(OC)[C@@H](O)[C@H](C)O1 | | InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29?,30-,31+,32+,33-,34?,35+,36-,37-,39+,40-,41-,42-/m1/s1 | 4 | |
| 816 | 64 | 60 | | | 844.4746204999999 | CCC1OC(=O)[C@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C | | InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26-,27+,31+,32?,34-,35-,37-,38+,41-,42-,43-/m1/s1 | 5 | |
| 817 | 62 | 58 | | | 811.47314328 | CCC1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C | | InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33?,36-,37-,38-,40+,42-,43-/m1/s1 | 5 | |
| 818 | 60 | 58 | | | 836.524569732 | CCC1OC(=O)[C@H](C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29?,30+,32-,33?,34-,35+,36-,38+,39-,40-,41-/m1/s1 | 3 | |
| 819 | 54 | 52 | | | 747.476891268 | CCC1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26?,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | |
| 820 | 62 | 60 | | | 861.5085853200001 | CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)OC(CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29?,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1 | 3 | |
| 821 | 53 | 51 | | | 733.4612412039999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)CC(N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24?,25-,26+,28-,29+,30-,31+,32-,34?,35-,36-,37-/m1/s1 | 3 | |
| 822 | 36 | 34 | | | 469.2311817 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)C(O)(C(C)CC)C(O)C(=O)OC(C)C(O)(C(C)C)C(=O)OC3 | | InChI=1S/C23H35NO9/c1-6-13(4)23(30)18(25)19(26)32-14(5)22(29,12(2)3)20(27)31-11-15-7-9-24-10-8-16(17(15)24)33-21(23)28/h7,12-14,16-18,25,29-30H,6,8-11H2,1-5H3/t13?,14?,16-,17-,18?,22?,23?/m1/s1 | 3 | |
| 823 | 73 | 67 | | | 930.3058627600001 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)O[C@@H]([C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)[C@]4(C)O | | InChI=1S/C47H50N2O18/c1-23-24(2)40(54)66-37-35(64-42(56)30-16-12-18-48-20-30)39(63-28(6)53)46(22-59-25(3)50)38(62-27(5)52)34(61-26(4)51)32-36(65-41(55)29-14-10-9-11-15-29)47(46,45(37,8)58)67-44(32,7)21-60-43(57)31-17-13-19-49-33(23)31/h9-20,23-24,32,34-39,58H,21-22H2,1-8H3/t23?,24?,32?,34-,35+,36-,37+,38-,39+,44+,45+,46-,47+/m1/s1 | 7 | |
| 824 | 34 | 32 | | | 441.199881572 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@](O)(C(C)C)[C@@H](O)C(=O)O[C@H](C)[C@@](O)(CC)C(=O)OC3 | | InChI=1S/C21H31NO9/c1-5-20(27)12(4)30-17(24)16(23)21(28,11(2)3)19(26)31-14-7-9-22-8-6-13(15(14)22)10-29-18(20)25/h6,11-12,14-16,23,27-28H,5,7-10H2,1-4H3/t12-,14-,15-,16+,20+,21-/m1/s1 | 3 | |
| 825 | 35 | 33 | | | 455.215531636 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@](O)(C(C)C)[C@H](O)C(=O)O[C@H](C)[C@](O)(C(C)C)C(=O)OC3 | | InChI=1S/C22H33NO9/c1-11(2)21(28)13(5)31-18(25)17(24)22(29,12(3)4)20(27)32-15-7-9-23-8-6-14(16(15)23)10-30-19(21)26/h6,11-13,15-17,24,28-29H,7-10H2,1-5H3/t13-,15-,16-,17-,21-,22-/m1/s1 | 3 | |
| 826 | 34 | 32 | | | 439.220617016 | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@](O)(C(C)C)CC(=O)O[C@H](C)[C@@](O)(C(C)C)C(=O)OC3 | | InChI=1S/C22H33NO8/c1-12(2)21(27)10-17(24)30-14(5)22(28,13(3)4)20(26)29-11-15-6-8-23-9-7-16(18(15)23)31-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14-,16-,18-,21+,22+/m1/s1 | 3 | |
| 827 | 64 | 60 | | | 844.4746205 | CCC1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C | | InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32?,34-,35-,37-,38+,41-,42+,43-/m1/s1 | 5 | |
| 828 | 62 | 60 | | | 861.5085853200001 | CCOC(=O)CCC(=O)O[C@H]1[C@H](OC2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38?,40+,41-,42-,43-/m1/s1 | 3 | |
| 829 | 41 | 38 | | | 538.1686410199999 | CC=C1[C@H]2OC=C(C(=O)OC)[C@H]1CC(=O)OC[C@@H](c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O | | InChI=1S/C25H30O13/c1-3-12-13-7-19(28)35-9-17(11-4-5-15(26)16(27)6-11)34-10-18-20(29)21(30)22(31)25(37-18)38-24(12)36-8-14(13)23(32)33-2/h3-6,8,13,17-18,20-22,24-27,29-31H,7,9-10H2,1-2H3/t13-,17-,18+,20+,21-,22+,24-,25-/m0/s1 | 4 | |
| 830 | 68 | 63 | | | 857.2742282840002 | [H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cnccc1C(C)C(C)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(=O)c1ccoc1)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | | InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(56-21(4)44)34(59-24(7)47)40(17-54-36(49)25-11-13-52-15-25)33(58-23(6)46)29(55-20(3)43)28-31(57-22(5)45)41(40,39(32,9)51)61-38(28,8)16-53-37(50)27-14-42-12-10-26(18)27/h10-15,18-19,28-34,51H,16-17H2,1-9H3/t18?,19?,28-,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1 | 6 | |
| 831 | 55 | 53 | | | 761.4925413320002 | CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H](OC)C1(C)O | | InChI=1S/C39H71NO13/c1-16-27-39(10,45)34(46-13)22(4)29(41)20(2)18-38(9,48-15)33(53-36-30(42)26(40(11)12)17-21(3)49-36)23(5)31(24(6)35(44)51-27)52-28-19-37(8,47-14)32(43)25(7)50-28/h20-28,30-34,36,42-43,45H,16-19H2,1-15H3/t20-,21+,22-,23+,24+,25-,26-,27-,28-,30+,31+,32-,33-,34+,36-,37+,38+,39?/m0/s1 | 3 | |
| 832 | 42 | 41 | | | 589.3825969599999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C30H55NO10/c1-12-21-30(8,37)25(35)17(4)22(32)15(2)14-29(7,38-11)26(18(5)23(33)19(6)27(36)40-21)41-28-24(34)20(31(9)10)13-16(3)39-28/h15-21,23-26,28,33-35,37H,12-14H2,1-11H3/t15-,16-,17+,18+,19-,20+,21-,23+,24-,25-,26-,28+,29-,30-/m1/s1 | 2 | |
| 833 | 66 | 61 | | | 857.2742282840001 | CC(=O)OC1C2C(OC(C)=O)C34OC2(C)COC(=O)c2cnccc2C(C)C(C)C(=O)OC(C(OC(C)=O)C(OC(C)=O)C3(COC(=O)c2ccoc2)C1OC(C)=O)C4(C)O | | InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(56-21(4)44)34(59-24(7)47)40(17-54-36(49)25-11-13-52-15-25)33(58-23(6)46)29(55-20(3)43)28-31(57-22(5)45)41(40,39(32,9)51)61-38(28,8)16-53-37(50)27-14-42-12-10-26(18)27/h10-15,18-19,28-34,51H,16-17H2,1-9H3 | 6 | |
| 834 | 24 | 23 | | | 318.14672380400003 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 | 2 | |
| 835 | 25 | 24 | | | 332.16237386800003 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C19H24O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h4,8,11-13,21H,3,5-7,9-10H2,1-2H3/b8-4+/t13-/m0/s1 | 2 | |
| 836 | 24 | 23 | | | 322.17802393200003 | C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1 | 2 | |
| 837 | 53 | 51 | | | 732.4772256159998 | CCC1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)C(=N)C(C)[C@@H](O)[C@@]1(C)O | | InChI=1S/C37H68N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44-45H,14-17H2,1-13H3/t18-,19?,20?,21?,22+,23?,24?,25?,26?,28?,29+,30+,31?,32-,34?,35-,36?,37-/m0/s1 | 3 | |
| 838 | 57 | 55 | | | 789.4874559519999 | CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C | | InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3 | 3 | |
| 839 | 62 | 60 | | | 861.5085853199998 | CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3 | 3 | |
| 840 | 51 | 48 | | | 687.4193763919999 | COC1CC(OC2C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O | | InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3 | 4 | |
| 841 | 53 | 51 | | | 733.4612412039999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 | 3 | |
| 842 | 54 | 52 | | | 748.4721402359999 | CCC1OC(=O)[C@H](C)C(OC2OC[C@@](C)(OC)[C@@H](O)[C@@H]2C)C(C)C(OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)/C(=N/O)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(42)20(4)26(38-46)18(2)16-35(8,44)31(52-34-27(40)24(39(11)12)15-19(3)49-34)21(5)28(22(6)32(43)50-25)51-33-23(7)29(41)36(9,47-13)17-48-33/h18-25,27-31,33-34,40-42,44-46H,14-17H2,1-13H3/b38-26-/t18-,19+,20?,21?,22+,23-,24-,25?,27+,28?,29-,30?,31?,33?,34?,35+,36+,37?/m0/s1 | 3 | |
| 843 | 53 | 51 | | | 732.4772256159998 | CCC1OC(=O)[C@H](C)C(OC2OC[C@@](C)(OC)[C@@H](O)[C@@H]2C)C(C)C(OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)C(=N)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O12/c1-14-25-37(10,45)30(42)20(4)26(38)18(2)16-35(8,44)31(51-34-27(40)24(39(11)12)15-19(3)48-34)21(5)28(22(6)32(43)49-25)50-33-23(7)29(41)36(9,46-13)17-47-33/h18-25,27-31,33-34,38,40-42,44-45H,14-17H2,1-13H3/t18-,19+,20?,21?,22+,23-,24-,25?,27+,28?,29-,30?,31?,33?,34?,35+,36+,37?/m0/s1 | 3 | |
| 844 | 24 | 23 | | | 318.1467238039999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 | 2 | |
| 845 | 25 | 24 | | | 332.16237386800003 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C19H24O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h4,8,11-13,21H,3,5-7,9-10H2,1-2H3/b8-4+/t13-/m0/s1 | 2 | |
| 846 | 24 | 23 | | | 322.1780239319999 | C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1 | 2 | |
| 847 | 57 | 55 | | | 789.4874559520001 | CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C | | InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3 | 3 | |
| 848 | 51 | 48 | | | 687.419376392 | COC1CC(OC2C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O | | InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3 | 4 | |
| 849 | 53 | 51 | | | 732.4772256159999 | CCC1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)C(=N)C(C)[C@@H](O)[C@@]1(C)O | | InChI=1S/C37H68N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44-45H,14-17H2,1-13H3/t18-,19?,20?,21?,22+,23?,24?,25?,26?,28?,29+,30+,31?,32-,34?,35-,36?,37-/m0/s1 | 3 | |
| 850 | 62 | 60 | | | 861.5085853200001 | CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3 | 3 | |
| 851 | 53 | 51 | | | 733.4612412040001 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 | 3 | |
| 852 | 53 | 51 | | | 732.4772256159999 | CCC1OC(=O)[C@H](C)C(OC2OC[C@@](C)(OC)[C@@H](O)[C@@H]2C)C(C)C(OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)C(=N)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O12/c1-14-25-37(10,45)30(42)20(4)26(38)18(2)16-35(8,44)31(51-34-27(40)24(39(11)12)15-19(3)48-34)21(5)28(22(6)32(43)49-25)50-33-23(7)29(41)36(9,46-13)17-47-33/h18-25,27-31,33-34,38,40-42,44-45H,14-17H2,1-13H3/t18-,19+,20?,21?,22+,23-,24-,25?,27+,28?,29-,30?,31?,33?,34?,35+,36+,37?/m0/s1 | 3 | |
| 853 | 54 | 52 | | | 748.472140236 | CCC1OC(=O)[C@H](C)C(OC2OC[C@@](C)(OC)[C@@H](O)[C@@H]2C)C(C)C(OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)/C(=N/O)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(42)20(4)26(38-46)18(2)16-35(8,44)31(52-34-27(40)24(39(11)12)15-19(3)49-34)21(5)28(22(6)32(43)50-25)51-33-23(7)29(41)36(9,47-13)17-48-33/h18-25,27-31,33-34,40-42,44-46H,14-17H2,1-13H3/b38-26-/t18-,19+,20?,21?,22+,23-,24-,25?,27+,28?,29-,30?,31?,33?,34?,35+,36+,37?/m0/s1 | 3 | |
| 854 | 25 | 24 | | | 332.162373868 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 | | InChI=1S/C19H24O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h4,8,11-13,21H,3,5-7,9-10H2,1-2H3/t13-/m0/s1 | 2 | |
| 855 | 24 | 23 | | | 318.146723804 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/t12-/m0/s1 | 2 | |
| 856 | 62 | 60 | | | 861.5085853200001 | CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3 | 3 | |
| 857 | 51 | 48 | | | 687.419376392 | COC1CC(OC2C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O | | InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3 | 4 | |
| 858 | 57 | 55 | | | 789.4874559519999 | CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C | | InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3 | 3 | |
| 859 | 53 | 51 | | | 732.4772256159999 | CCC1OC(=O)[C@H](C)C(OC2OC[C@@](C)(OC)[C@@H](O)[C@@H]2C)C(C)C(OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)C(=N)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O12/c1-14-25-37(10,45)30(42)20(4)26(38)18(2)16-35(8,44)31(51-34-27(40)24(39(11)12)15-19(3)48-34)21(5)28(22(6)32(43)49-25)50-33-23(7)29(41)36(9,46-13)17-47-33/h18-25,27-31,33-34,38,40-42,44-45H,14-17H2,1-13H3/t18-,19+,20?,21?,22+,23-,24-,25?,27+,28?,29-,30?,31?,33?,34?,35+,36+,37?/m0/s1 | 3 | |
| 860 | 54 | 52 | | | 748.472140236 | CCC1OC(=O)[C@H](C)C(OC2OC[C@@](C)(OC)[C@@H](O)[C@@H]2C)C(C)C(OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)C(=NO)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(42)20(4)26(38-46)18(2)16-35(8,44)31(52-34-27(40)24(39(11)12)15-19(3)49-34)21(5)28(22(6)32(43)50-25)51-33-23(7)29(41)36(9,47-13)17-48-33/h18-25,27-31,33-34,40-42,44-46H,14-17H2,1-13H3/t18-,19+,20?,21?,22+,23-,24-,25?,27+,28?,29-,30?,31?,33?,34?,35+,36+,37?/m0/s1 | 3 | |
| 861 | 16 | 16 | | | 228.13615912 | O=C1CCCCCCCCC(=O)OCCO1 | | InChI=1S/C12H20O4/c13-11-7-5-3-1-2-4-6-8-12(14)16-10-9-15-11/h1-10H2 | 1 | |
| 862 | 38 | 34 | | | 448.0946882319999 | O=C1Oc2ccccc2C(=O)c2ccccc2C(=O)Oc2ccccc2C(=O)c2ccccc21 | | InChI=1S/C28H16O6/c29-25-17-9-1-3-11-19(17)27(31)33-24-16-8-6-14-22(24)26(30)18-10-2-4-12-20(18)28(32)34-23-15-7-5-13-21(23)25/h1-16H | 5 | |
| 863 | 24 | 23 | | | 318.146723804 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/t12-/m0/s1 | 2 | |
| 864 | 77 | 70 | | | 920.4194359680002 | [H][C@@]12C=CCCCC[C@@]3([H])C=C[C@@]4([H])[C@H](O[C@H]5C[C@@H](O)[C@H](O[C@H]6C[C@@H](OC(=O)c7c(C)cccc7OC)[C@H](O)[C@@H](C)O6)[C@@H](C)O5)CCC[C@]4([H])[C@@]3(C)C(=O)OC3=C(O)[C@]1(C[C@H](C)C(C(=O)O)=C2)OC3=O | | InChI=1S/C50H64O16/c1-25-13-11-18-36(59-6)40(25)46(56)63-37-23-39(60-27(3)41(37)52)64-42-28(4)61-38(22-34(42)51)62-35-17-12-16-33-31(35)20-19-29-14-9-7-8-10-15-30-21-32(45(54)55)26(2)24-50(30)44(53)43(47(57)66-50)65-48(58)49(29,33)5/h10-11,13,15,18-21,26-31,33-35,37-39,41-42,51-53H,7-9,12,14,16-17,22-24H2,1-6H3,(H,54,55)/t26-,27+,28+,29-,30-,31+,33-,34+,35+,37+,38-,39-,41+,42+,49-,50+/m0/s1 | 8 | |
| 865 | 60 | 58 | | | 832.482036224 | COC1C(OC2C(C)CC(C)(OC)C(=O)C(C)C(OC(C)=O)C(C)C(C(C)C(C)O)OC(=O)C(C)C(OC3OC(C)CC(O)C3O)C2C)OC(C)C(OC(C)=O)C1C | | InChI=1S/C42H72O16/c1-18-17-42(13,51-15)38(48)24(7)34(54-28(11)44)22(5)33(20(3)26(9)43)56-39(49)25(8)35(58-40-31(47)30(46)16-19(2)52-40)21(4)32(18)57-41-37(50-14)23(6)36(27(10)53-41)55-29(12)45/h18-27,30-37,40-41,43,46-47H,16-17H2,1-15H3 | 3 | |
| 866 | 27 | 27 | | | 383.242021156 | CC(C)CC1NC(=O)C(C)NC(=O)C(CC(C)C)OC(=O)CCCNC1=O | | InChI=1S/C19H33N3O5/c1-11(2)9-14-18(25)20-8-6-7-16(23)27-15(10-12(3)4)19(26)21-13(5)17(24)22-14/h11-15H,6-10H2,1-5H3,(H,20,25)(H,21,26)(H,22,24) | 1 | |
| 867 | 65 | 59 | | | 772.3670064720002 | [H][C@@]12C=CCCCC[C@@]3([H])C=C[C@@]4([H])[C@H](O[C@H]5C[C@@H](O)[C@H](O[C@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@@H](C)O5)CCC[C@]4([H])[C@@]3(C)C(=O)OC3=C(O)[C@]1(C[C@H](C)C(C(=O)O)=C2)OC3=O | | InChI=1S/C41H56O14/c1-20-19-41-24(16-26(20)37(46)47)11-8-6-5-7-10-23-14-15-25-27(40(23,4)39(49)54-35(36(41)45)38(48)55-41)12-9-13-30(25)52-31-18-29(43)34(22(3)51-31)53-32-17-28(42)33(44)21(2)50-32/h8,11,14-16,20-25,27-34,42-45H,5-7,9-10,12-13,17-19H2,1-4H3,(H,46,47)/t20-,21+,22+,23-,24-,25+,27-,28+,29+,30+,31-,32-,33+,34+,40-,41+/m0/s1 | 7 | |
| 868 | 29 | 28 | | | 412.12888081999995 | COc1cc(O)c(Cl)c2c1C(=O)OC(C)CCC(=O)CCC(OC)CC(=O)C2 | | InChI=1S/C20H25ClO7/c1-11-4-5-12(22)6-7-14(26-2)8-13(23)9-15-18(20(25)28-11)17(27-3)10-16(24)19(15)21/h10-11,14,24H,4-9H2,1-3H3 | 2 | |
| 869 | 24 | 24 | | | 334.21440944 | CCC1OC(=O)C(C)C(=O)C(C)=CC(C)CC(C)C(=O)C=CC1C | | InChI=1S/C20H30O4/c1-7-18-13(3)8-9-17(21)14(4)10-12(2)11-15(5)19(22)16(6)20(23)24-18/h8-9,11-14,16,18H,7,10H2,1-6H3 | 1 | |
| 870 | 38 | 35 | | | 472.2249741239999 | Cc1ccc2ccccc2c1COc1cc(O)c2c(c1)C=CCCCC(=O)CCC[C@@H](C)OC2=O | | InChI=1S/C30H32O5/c1-20-15-16-22-10-6-7-14-26(22)27(20)19-34-25-17-23-11-4-3-5-12-24(31)13-8-9-21(2)35-30(33)29(23)28(32)18-25/h4,6-7,10-11,14-18,21,32H,3,5,8-9,12-13,19H2,1-2H3/t21-/m1/s1 | 4 | |
| 871 | 61 | 57 | | | 805.279313664 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | | InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16-,17+,25+,27+,28-,29+,30-,31+,32-,35-,36-,37+,38-/m0/s1 | 5 | |
| 872 | 42 | 39 | | | 538.1686410199999 | [H][C@@]12CC(=O)OC[C@@H](c3ccc(O)c(O)c3)OC[C@H]3O[C@@H](O[C@H](OC=C1C(=O)OC)/C2=C/C)[C@H](O)[C@@H](O)[C@@H]3O | | InChI=1S/C25H30O13/c1-3-12-13-7-19(28)35-9-17(11-4-5-15(26)16(27)6-11)34-10-18-20(29)21(30)22(31)25(37-18)38-24(12)36-8-14(13)23(32)33-2/h3-6,8,13,17-18,20-22,24-27,29-31H,7,9-10H2,1-2H3/b12-3+/t13-,17-,18+,20+,21-,22+,24-,25-/m0/s1 | 4 | |
| 873 | 67 | 62 | | | 867.2949637280001 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O | | InChI=1S/C43H49NO18/c1-20-21(2)37(50)60-34-32(57-24(5)47)36(61-38(51)27-14-11-10-12-15-27)42(19-54-22(3)45)35(59-26(7)49)31(56-23(4)46)29-33(58-25(6)48)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20-,21+,29+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1 | 6 | |
| 874 | 58 | 54 | | | 763.2687489800002 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | | InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16+,23+,25+,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1 | 5 | |
| 875 | 73 | 67 | | | 929.310613792 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O | | InChI=1S/C48H51NO18/c1-24-25(2)41(54)65-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(64-42(55)30-16-11-9-12-17-30)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3/t24-,25+,33+,35+,36-,37+,38-,39+,40-,45-,46-,47+,48-/m0/s1 | 7 | |
| 876 | 36 | 35 | | | 489.2726525879999 | CO[C@H]1C=CCCC=CC(=O)OC([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=C[C@@H](C)[C@@H]1O | | InChI=1S/C27H39NO7/c1-17-14-18(2)27(35-25(32)13-8-6-5-7-12-22(34-4)26(17)33)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/t17-,19-,22+,26+,27?/m1/s1 | 2 | |
| 877 | 69 | 67 | | | 992.6400088120001 | CCOC(C)(C)ON=C1C(C)CC(C)(OC)C(OC2OC(C)CC(N(C)C)C2O[Si](C)(C)C)C(C)C(OC2CC(C)(OC)C(O[Si](C)(C)C)C(C)O2)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C | | InChI=1S/C49H96N2O14Si2/c1-24-36-49(13,54)41(52)31(5)38(50-65-46(9,10)57-25-2)29(3)27-47(11,55-16)42(62-45-40(63-66(18,19)20)35(51(14)15)26-30(4)58-45)32(6)39(33(7)44(53)60-36)61-37-28-48(12,56-17)43(34(8)59-37)64-67(21,22)23/h29-37,39-43,45,52,54H,24-28H2,1-23H3 | 3 | |
| 878 | 54 | 52 | | | 747.476891268 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | |
| 879 | 56 | 53 | | | 759.4405057600001 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@@]21C | | InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31-,32-,34+,36-,37-,38-/m1/s1 | 4 | |
| 880 | 24 | 23 | | | 322.178023932 | C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1 | 2 | |
| 881 | 63 | 59 | | | 811.4731432799998 | [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCCCn1cnc(-c2cccnc2)c1 | | InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1 | 5 | |
| 882 | 64 | 60 | | | 844.4746204999999 | CC[C@H]1OC(=O)[C@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C | | InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26-,27+,31+,32-,34-,35-,37-,38+,41-,42-,43-/m1/s1 | 5 | |
| 883 | 50 | 48 | | | 673.3825969599999 | CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)c2ccccc2)[C@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O | | InChI=1S/C37H55NO10/c1-12-28-36(7,43)19-21(2)29(39)22(3)20-37(8,44-11)32(24(5)30(40)25(6)33(41)46-28)48-35-31(27(38(9)10)18-23(4)45-35)47-34(42)26-16-14-13-15-17-26/h13-17,19,22-25,27-28,31-32,35,43H,12,18,20H2,1-11H3/t22-,23-,24+,25-,27+,28-,31-,32-,35+,36+,37-/m1/s1 | 3 | |
| 884 | 64 | 58 | | | 767.341794768 | [H][C@]12CN(C(=O)CCCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C43H49N3O10/c1-26-8-5-11-31(47)10-4-2-3-9-29-19-34(48)41(42(52)40(29)43(53)56-26)32(28-15-16-35-36(20-28)55-25-54-35)21-37(49)44-17-7-14-38(50)45-22-27-18-30(24-45)33-12-6-13-39(51)46(33)23-27/h3,6,9,12-13,15-16,19-20,26-27,30,32,48,52H,2,4-5,7-8,10-11,14,17-18,21-25H2,1H3,(H,44,49)/t26-,27+,30-,32?/m0/s1 | 7 | |
| 885 | 55 | 50 | | | 682.2638787960002 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCc3nc(-c4cccnc4)no3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N4O9/c1-22-7-5-11-26(42)10-4-2-3-8-24-17-28(43)34(35(45)33(24)37(46)49-22)27(23-12-13-29-30(18-23)48-21-47-29)19-31(44)39-16-14-32-40-36(41-50-32)25-9-6-15-38-20-25/h3,6,8-9,12-13,15,17-18,20,22,27,43,45H,2,4-5,7,10-11,14,16,19,21H2,1H3,(H,39,44)/t22-,27?/m0/s1 | 6 | |
| 886 | 63 | 57 | | | 753.326144704 | [H][C@]12CN(C(=O)[C@H](C)NC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C42H47N3O10/c1-24-8-6-11-30(46)10-5-3-4-9-28-17-33(47)39(40(50)38(28)42(52)55-24)31(27-14-15-34-35(18-27)54-23-53-34)19-36(48)43-25(2)41(51)44-20-26-16-29(22-44)32-12-7-13-37(49)45(32)21-26/h4,7,9,12-15,17-18,24-26,29,31,47,50H,3,5-6,8,10-11,16,19-23H2,1-2H3,(H,43,48)/t24-,25-,26+,29-,31?/m0/s1 | 7 | |
| 887 | 61 | 56 | | | 739.346880148 | [H][C@]12CN(C(=O)[C@H](C)NC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C42H49N3O9/c1-25-9-7-12-31(46)11-6-4-5-10-29-20-35(47)39(40(50)38(29)42(52)54-25)33(28-15-17-32(53-3)18-16-28)21-36(48)43-26(2)41(51)44-22-27-19-30(24-44)34-13-8-14-37(49)45(34)23-27/h5,8,10,13-18,20,25-27,30,33,47,50H,4,6-7,9,11-12,19,21-24H2,1-3H3,(H,43,48)/t25-,26-,27+,30-,33?/m0/s1 | 6 | |
| 888 | 60 | 55 | | | 755.30540926 | COc1cc2nc(C)n(CCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c(=O)c2cc1OC | | InChI=1S/C41H45N3O11/c1-23-9-8-12-27(45)11-7-5-6-10-26-17-31(46)38(39(48)37(26)41(50)55-23)28(25-13-14-32-35(18-25)54-22-53-32)20-36(47)42-15-16-44-24(2)43-30-21-34(52-4)33(51-3)19-29(30)40(44)49/h6,10,13-14,17-19,21,23,28,46,48H,5,7-9,11-12,15-16,20,22H2,1-4H3,(H,42,47)/t23-,28?/m0/s1 | 6 | |
| 889 | 49 | 45 | | | 617.262481828 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCCc3ccco3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39NO9/c1-22-8-5-11-25(37)10-4-2-3-9-24-18-28(38)33(34(40)32(24)35(41)45-22)27(23-14-15-29-30(19-23)44-21-43-29)20-31(39)36-16-6-12-26-13-7-17-42-26/h3,7,9,13-15,17-19,22,27,38,40H,2,4-6,8,10-12,16,20-21H2,1H3,(H,36,39)/t22-,27?/m0/s1 | 5 | |
| 890 | 66 | 60 | | | 813.329515832 | [H][C@]12CN(C(=O)[C@H](CCSC)NC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H51N3O10S/c1-26-8-6-11-31(48)10-5-3-4-9-29-19-35(49)41(42(52)40(29)44(54)57-26)32(28-14-15-36-37(20-28)56-25-55-36)21-38(50)45-33(16-17-58-2)43(53)46-22-27-18-30(24-46)34-12-7-13-39(51)47(34)23-27/h4,7,9,12-15,19-20,26-27,30,32-33,49,52H,3,5-6,8,10-11,16-18,21-25H2,1-2H3,(H,45,50)/t26-,27+,30-,32?,33-/m0/s1 | 7 | |
| 891 | 54 | 49 | | | 668.2733808600001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCc3c[nH]c4ccc(O)cc34)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H40N2O9/c1-22-6-5-9-26(41)8-4-2-3-7-24-16-31(43)36(37(45)35(24)38(46)49-22)29(23-10-13-32-33(17-23)48-21-47-32)19-34(44)39-15-14-25-20-40-30-12-11-27(42)18-28(25)30/h3,7,10-13,16-18,20,22,29,40,42-43,45H,2,4-6,8-9,14-15,19,21H2,1H3,(H,39,44)/t22-,29?/m0/s1 | 6 | |
| 892 | 55 | 51 | | | 705.264607068 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCNC(=O)Cn3cc([N+](=O)[O-])cn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39N5O11/c1-21-6-5-9-25(41)8-4-2-3-7-23-14-27(42)33(34(45)32(23)35(46)51-21)26(22-10-11-28-29(15-22)50-20-49-28)16-30(43)36-12-13-37-31(44)19-39-18-24(17-38-39)40(47)48/h3,7,10-11,14-15,17-18,21,26,42,45H,2,4-6,8-9,12-13,16,19-20H2,1H3,(H,36,43)(H,37,44)/t21-,26?/m0/s1 | 5 | |
| 893 | 50 | 46 | | | 649.2094007000002 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCC(=O)Nc3nccs3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C33H35N3O9S/c1-19-6-5-9-22(37)8-4-2-3-7-21-14-24(38)30(31(41)29(21)32(42)45-19)23(20-10-11-25-26(15-20)44-18-43-25)16-27(39)35-17-28(40)36-33-34-12-13-46-33/h3,7,10-15,19,23,38,41H,2,4-6,8-9,16-18H2,1H3,(H,35,39)(H,34,36,40)/t19-,23?/m0/s1 | 5 | |
| 894 | 51 | 47 | | | 646.2526454160001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCC(=O)NCc3ccco3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H38N2O10/c1-21-7-5-10-24(38)9-4-2-3-8-23-15-27(39)33(34(42)32(23)35(43)47-21)26(22-12-13-28-29(16-22)46-20-45-28)17-30(40)37-19-31(41)36-18-25-11-6-14-44-25/h3,6,8,11-16,21,26,39,42H,2,4-5,7,9-10,17-20H2,1H3,(H,36,41)(H,37,40)/t21-,26?/m0/s1 | 5 | |
| 895 | 49 | 45 | | | 614.2628161760001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H38N2O8/c1-22-8-7-12-26(38)11-4-2-3-9-24-18-28(39)33(34(41)32(24)35(42)45-22)27(23-13-14-29-30(19-23)44-21-43-29)20-31(40)37-17-15-25-10-5-6-16-36-25/h3,5-6,9-10,13-14,16,18-19,22,27,39,41H,2,4,7-8,11-12,15,17,20-21H2,1H3,(H,37,40)/t22-,27?/m0/s1 | 5 | |
| 896 | 48 | 44 | | | 603.258065144 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCc3c[nH]cn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C33H37N3O8/c1-20-6-5-9-24(37)8-4-2-3-7-22-14-26(38)31(32(40)30(22)33(41)44-20)25(21-10-11-27-28(15-21)43-19-42-27)16-29(39)35-13-12-23-17-34-18-36-23/h3,7,10-11,14-15,17-18,20,25,38,40H,2,4-6,8-9,12-13,16,19H2,1H3,(H,34,36)(H,35,39)/t20-,25?/m0/s1 | 5 | |
| 897 | 51 | 47 | | | 645.257396448 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCC(O)c3cccc(O)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO10/c1-21-7-5-11-25(38)10-4-2-3-8-24-16-28(40)34(35(43)33(24)36(44)47-21)27(22-13-14-30-31(17-22)46-20-45-30)18-32(42)37-19-29(41)23-9-6-12-26(39)15-23/h3,6,8-9,12-17,21,27,29,39-41,43H,2,4-5,7,10-11,18-20H2,1H3,(H,37,42)/t21-,27?,29?/m0/s1 | 5 | |
| 898 | 55 | 50 | | | 682.2890309240001 | COc1ccc2[nH]cc(CCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c2c1 | | InChI=1S/C39H42N2O9/c1-23-7-6-10-27(42)9-5-3-4-8-25-17-32(43)37(38(45)36(25)39(46)50-23)30(24-11-14-33-34(18-24)49-22-48-33)20-35(44)40-16-15-26-21-41-31-13-12-28(47-2)19-29(26)31/h4,8,11-14,17-19,21,23,30,41,43,45H,3,5-7,9-10,15-16,20,22H2,1-2H3,(H,40,44)/t23-,30?/m0/s1 | 6 | |
| 899 | 45 | 42 | | | 567.2468317639999 | [H][C@](C)(O)CNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 | | InChI=1S/C31H37NO9/c1-18(33)16-32-27(36)15-23(20-11-12-25-26(14-20)40-17-39-25)29-24(35)13-21-8-4-3-5-9-22(34)10-6-7-19(2)41-31(38)28(21)30(29)37/h4,8,11-14,18-19,23,33,35,37H,3,5-7,9-10,15-17H2,1-2H3,(H,32,36)/t18-,19+,23?/m1/s1 | 4 | |
| 900 | 60 | 54 | | | 742.3101602920001 | COc1c2c(c(CNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)c3c1OCO3)CCN(C)C2 | | InChI=1S/C41H46N2O11/c1-23-8-7-11-26(44)10-6-4-5-9-25-16-31(45)36(37(47)35(25)41(48)54-23)28(24-12-13-32-33(17-24)51-21-50-32)18-34(46)42-19-29-27-14-15-43(2)20-30(27)38(49-3)40-39(29)52-22-53-40/h5,9,12-13,16-17,23,28,45,47H,4,6-8,10-11,14-15,18-22H2,1-3H3,(H,42,46)/t23-,28?/m0/s1 | 7 | |
| 901 | 46 | 43 | | | 594.257730796 | CC(=O)NCCNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 | | InChI=1S/C32H38N2O9/c1-19-7-6-10-23(36)9-5-3-4-8-22-15-25(37)30(31(39)29(22)32(40)43-19)24(17-28(38)34-14-13-33-20(2)35)21-11-12-26-27(16-21)42-18-41-26/h4,8,11-12,15-16,19,24,37,39H,3,5-7,9-10,13-14,17-18H2,1-2H3,(H,33,35)(H,34,38)/t19-,24?/m0/s1 | 4 | |
| 902 | 57 | 53 | | | 732.300658228 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCC(=O)NCc3cc(=O)n(C)c(=O)n3C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H44N4O11/c1-22-8-7-11-26(43)10-6-4-5-9-24-16-28(44)35(36(48)34(24)37(49)53-22)27(23-12-13-29-30(17-23)52-21-51-29)19-32(46)39-15-14-31(45)40-20-25-18-33(47)42(3)38(50)41(25)2/h5,9,12-13,16-18,22,27,44,48H,4,6-8,10-11,14-15,19-21H2,1-3H3,(H,39,46)(H,40,45)/t22-,27?/m0/s1 | 5 | |
| 903 | 55 | 50 | | | 683.2842798920001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCn3c(CO)nc4ccccc43)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H41N3O9/c1-23-8-7-11-26(43)10-4-2-3-9-25-18-30(44)36(37(46)35(25)38(47)50-23)27(24-14-15-31-32(19-24)49-22-48-31)20-34(45)39-16-17-41-29-13-6-5-12-28(29)40-33(41)21-42/h3,5-6,9,12-15,18-19,23,27,42,44,46H,2,4,7-8,10-11,16-17,20-22H2,1H3,(H,39,45)/t23-,27?/m0/s1 | 6 | |
| 904 | 54 | 49 | | | 660.3410664960002 | [H][C@]12CCCCN1CCC[C@H]2CNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 | | InChI=1S/C38H48N2O8/c1-24-9-7-13-28(41)12-4-2-3-10-26-19-31(42)36(37(44)35(26)38(45)48-24)29(25-15-16-32-33(20-25)47-23-46-32)21-34(43)39-22-27-11-8-18-40-17-6-5-14-30(27)40/h3,10,15-16,19-20,24,27,29-30,42,44H,2,4-9,11-14,17-18,21-23H2,1H3,(H,39,43)/t24-,27-,29?,30+/m0/s1 | 6 | |
| 905 | 53 | 49 | | | 692.24036648 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H40N2O10S/c1-22-6-5-9-26(39)8-4-2-3-7-25-18-29(40)34(35(42)33(25)36(43)48-22)28(24-12-15-30-31(19-24)47-21-46-30)20-32(41)38-17-16-23-10-13-27(14-11-23)49(37,44)45/h3,7,10-15,18-19,22,28,40,42H,2,4-6,8-9,16-17,20-21H2,1H3,(H,38,41)(H2,37,44,45)/t22-,28?/m0/s1 | 5 | |
| 906 | 48 | 44 | | | 668.1481761160003 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCc3nnc(Br)[nH]3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C31H33BrN4O8/c1-17-6-5-9-20(37)8-4-2-3-7-19-12-22(38)28(29(40)27(19)30(41)44-17)21(18-10-11-23-24(13-18)43-16-42-23)14-26(39)33-15-25-34-31(32)36-35-25/h3,7,10-13,17,21,38,40H,2,4-6,8-9,14-16H2,1H3,(H,33,39)(H,34,35,36)/t17-,21?/m0/s1 | 5 | |
| 907 | 52 | 47 | | | 638.2628161760001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCc3cccc4[nH]ccc34)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N2O8/c1-22-7-5-11-26(40)10-4-2-3-8-24-17-30(41)35(36(43)34(24)37(44)47-22)28(23-13-14-31-32(18-23)46-21-45-31)19-33(42)39-20-25-9-6-12-29-27(25)15-16-38-29/h3,6,8-9,12-18,22,28,38,41,43H,2,4-5,7,10-11,19-21H2,1H3,(H,39,42)/t22-,28?/m0/s1 | 6 | |
| 908 | 56 | 51 | | | 695.3206653999999 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2)c1nc2ccccc2[nH]1 | | InChI=1S/C40H45N3O8/c1-4-23(2)37(39-41-29-15-8-9-16-30(29)42-39)43-34(46)21-28(25-17-18-32-33(20-25)50-22-49-32)36-31(45)19-26-12-6-5-7-13-27(44)14-10-11-24(3)51-40(48)35(26)38(36)47/h6,8-9,12,15-20,23-24,28,37,45,47H,4-5,7,10-11,13-14,21-22H2,1-3H3,(H,41,42)(H,43,46)/t23-,24-,28?,37-/m0/s1 | 6 | |
| 909 | 45 | 42 | | | 580.242080732 | C[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2)C(N)=O | | InChI=1S/C31H36N2O9/c1-17-7-6-10-21(34)9-5-3-4-8-20-13-23(35)28(29(37)27(20)31(39)42-17)22(15-26(36)33-18(2)30(32)38)19-11-12-24-25(14-19)41-16-40-24/h4,8,11-14,17-18,22,35,37H,3,5-7,9-10,15-16H2,1-2H3,(H2,32,38)(H,33,36)/t17-,18-,22?/m0/s1 | 4 | |
| 910 | 51 | 47 | | | 645.257396448 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCc3ccc(O)c(O)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO10/c1-21-6-5-9-25(38)8-4-2-3-7-24-17-29(41)34(35(43)33(24)36(44)47-21)26(23-11-13-30-31(18-23)46-20-45-30)19-32(42)37-15-14-22-10-12-27(39)28(40)16-22/h3,7,10-13,16-18,21,26,39-41,43H,2,4-6,8-9,14-15,19-20H2,1H3,(H,37,42)/t21-,26?/m0/s1 | 5 | |
| 911 | 66 | 60 | | | 795.373094896 | [H][C@]12CN(C(=O)CCCCCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C45H53N3O10/c1-28-10-8-13-33(49)12-5-2-4-11-31-21-36(50)43(44(54)42(31)45(55)58-28)34(30-17-18-37-38(22-30)57-27-56-37)23-39(51)46-19-7-3-6-15-40(52)47-24-29-20-32(26-47)35-14-9-16-41(53)48(35)25-29/h4,9,11,14,16-18,21-22,28-29,32,34,50,54H,2-3,5-8,10,12-13,15,19-20,23-27H2,1H3,(H,46,51)/t28-,29+,32-,34?/m0/s1 | 7 | |
| 912 | 48 | 45 | | | 622.289030924 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2)C(N)=O | | InChI=1S/C34H42N2O9/c1-4-19(2)31(33(35)41)36-28(39)17-24(21-13-14-26-27(16-21)44-18-43-26)30-25(38)15-22-10-6-5-7-11-23(37)12-8-9-20(3)45-34(42)29(22)32(30)40/h6,10,13-16,19-20,24,31,38,40H,4-5,7-9,11-12,17-18H2,1-3H3,(H2,35,41)(H,36,39)/t19-,20-,24?,31-/m0/s1 | 4 | |
| 913 | 50 | 46 | | | 629.262481828 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCc3ccc(O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO9/c1-22-6-5-9-26(38)8-4-2-3-7-25-18-29(40)34(35(42)33(25)36(43)46-22)28(24-12-15-30-31(19-24)45-21-44-30)20-32(41)37-17-16-23-10-13-27(39)14-11-23/h3,7,10-15,18-19,22,28,39-40,42H,2,4-6,8-9,16-17,20-21H2,1H3,(H,37,41)/t22-,28?/m0/s1 | 5 | |
| 914 | 62 | 57 | | | 775.3138657679999 | [H][C@]12CN(S(=O)(=O)CCNC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C41H49N3O10S/c1-26-8-6-11-31(45)10-5-3-4-9-29-21-35(46)39(40(49)38(29)41(50)54-26)33(28-14-16-32(53-2)17-15-28)22-36(47)42-18-19-55(51,52)43-23-27-20-30(25-43)34-12-7-13-37(48)44(34)24-27/h4,7,9,12-17,21,26-27,30,33,46,49H,3,5-6,8,10-11,18-20,22-25H2,1-2H3,(H,42,47)/t26-,27+,30-,33?/m0/s1 | 6 | |
| 915 | 43 | 40 | | | 553.2311816999999 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCO)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C30H35NO9/c1-18-6-5-9-21(33)8-4-2-3-7-20-14-23(34)28(29(36)27(20)30(37)40-18)22(16-26(35)31-12-13-32)19-10-11-24-25(15-19)39-17-38-24/h3,7,10-11,14-15,18,22,32,34,36H,2,4-6,8-9,12-13,16-17H2,1H3,(H,31,35)/t18-,22?/m0/s1 | 4 | |
| 916 | 56 | 51 | | | 697.2635444480001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H39N3O10/c1-22-8-7-11-25(42)10-4-2-3-9-24-18-29(43)34(35(45)33(24)38(48)51-22)26(23-14-15-30-31(19-23)50-21-49-30)20-32(44)39-16-17-41-28-13-6-5-12-27(28)40-36(46)37(41)47/h3,5-6,9,12-15,18-19,22,26,43,45H,2,4,7-8,10-11,16-17,20-21H2,1H3,(H,39,44)(H,40,46)/t22-,26?/m0/s1 | 6 | |
| 917 | 60 | 55 | | | 725.331230084 | [H][C@]12CN(C(=O)CNC(=O)CC(c3ccc(OC)cc3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C41H47N3O9/c1-25-8-6-11-30(45)10-5-3-4-9-28-19-34(46)39(40(50)38(28)41(51)53-25)32(27-14-16-31(52-2)17-15-27)20-35(47)42-21-37(49)43-22-26-18-29(24-43)33-12-7-13-36(48)44(33)23-26/h4,7,9,12-17,19,25-26,29,32,46,50H,3,5-6,8,10-11,18,20-24H2,1-2H3,(H,42,47)/t25-,26+,29-,32?/m0/s1 | 6 | |
| 918 | 45 | 42 | | | 580.27846624 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCN(C)C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C32H40N2O8/c1-20-8-7-11-23(35)10-6-4-5-9-22-16-25(36)30(31(38)29(22)32(39)42-20)24(18-28(37)33-14-15-34(2)3)21-12-13-26-27(17-21)41-19-40-26/h5,9,12-13,16-17,20,24,36,38H,4,6-8,10-11,14-15,18-19H2,1-3H3,(H,33,37)/t20-,24?/m0/s1 | 4 | |
| 919 | 48 | 44 | | | 605.24856308 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCc3nnc(N)[nH]3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C31H35N5O8/c1-17-6-5-9-20(37)8-4-2-3-7-19-12-22(38)28(29(40)27(19)30(41)44-17)21(18-10-11-23-24(13-18)43-16-42-23)14-26(39)33-15-25-34-31(32)36-35-25/h3,7,10-13,17,21,38,40H,2,4-6,8-9,14-16H2,1H3,(H,33,39)(H3,32,34,35,36)/t17-,21?/m0/s1 | 5 | |
| 920 | 51 | 47 | | | 649.299929956 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NC3CCN(CC(N)=O)CC3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H43N3O9/c1-21-6-5-9-25(39)8-4-2-3-7-23-16-27(40)33(34(43)32(23)35(44)47-21)26(22-10-11-28-29(17-22)46-20-45-28)18-31(42)37-24-12-14-38(15-13-24)19-30(36)41/h3,7,10-11,16-17,21,24,26,40,43H,2,4-6,8-9,12-15,18-20H2,1H3,(H2,36,41)(H,37,42)/t21-,26?/m0/s1 | 5 | |
| 921 | 54 | 50 | | | 685.2635444480001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCC(=O)Nc3ccc(C(N)=O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H39N3O10/c1-21-6-5-9-26(41)8-4-2-3-7-24-16-28(42)34(35(45)33(24)37(47)50-21)27(23-12-15-29-30(17-23)49-20-48-29)18-31(43)39-19-32(44)40-25-13-10-22(11-14-25)36(38)46/h3,7,10-17,21,27,42,45H,2,4-6,8-9,18-20H2,1H3,(H2,38,46)(H,39,43)(H,40,44)/t21-,27?/m0/s1 | 5 | |
| 922 | 55 | 50 | | | 682.2638787960002 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCc3nc(-c4ccccn4)no3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N4O9/c1-22-8-7-11-25(42)10-4-2-3-9-24-18-28(43)34(35(45)33(24)37(46)49-22)26(23-13-14-29-30(19-23)48-21-47-29)20-31(44)39-17-15-32-40-36(41-50-32)27-12-5-6-16-38-27/h3,5-6,9,12-14,16,18-19,22,26,43,45H,2,4,7-8,10-11,15,17,20-21H2,1H3,(H,39,44)/t22-,26?/m0/s1 | 6 | |
| 923 | 52 | 48 | | | 643.278131892 | [H][C@](CO)(Cc1ccccc1)NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 | | InChI=1S/C37H41NO9/c1-23-9-8-14-28(40)13-7-3-6-12-26-18-30(41)35(36(43)34(26)37(44)47-23)29(25-15-16-31-32(19-25)46-22-45-31)20-33(42)38-27(21-39)17-24-10-4-2-5-11-24/h2,4-6,10-12,15-16,18-19,23,27,29,39,41,43H,3,7-9,13-14,17,20-22H2,1H3,(H,38,42)/t23-,27+,29?/m0/s1 | 5 | |
| 924 | 51 | 47 | | | 643.2529797640001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCC(=O)Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H37N3O9/c1-21-8-7-11-24(39)10-4-2-3-9-23-16-26(40)33(34(43)32(23)35(44)47-21)25(22-13-14-27-28(17-22)46-20-45-27)18-30(41)37-19-31(42)38-29-12-5-6-15-36-29/h3,5-6,9,12-17,21,25,40,43H,2,4,7-8,10-11,18-20H2,1H3,(H,37,41)(H,36,38,42)/t21-,25?/m0/s1 | 5 | |
| 925 | 51 | 47 | | | 663.2250507640001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCC(=O)Nc3nccs3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C34H37N3O9S/c1-20-6-5-9-23(38)8-4-2-3-7-22-16-25(39)31(32(42)30(22)33(43)46-20)24(21-10-11-26-27(17-21)45-19-44-26)18-29(41)35-13-12-28(40)37-34-36-14-15-47-34/h3,7,10-11,14-17,20,24,39,42H,2,4-6,8-9,12-13,18-19H2,1H3,(H,35,41)(H,36,37,40)/t20-,24?/m0/s1 | 5 | |
| 926 | 48 | 44 | | | 600.247166112 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C34H36N2O8/c1-21-8-7-12-25(37)11-4-2-3-9-23-16-27(38)32(33(40)31(23)34(41)44-21)26(22-13-14-28-29(17-22)43-20-42-28)18-30(39)36-19-24-10-5-6-15-35-24/h3,5-6,9-10,13-17,21,26,38,40H,2,4,7-8,11-12,18-20H2,1H3,(H,36,39)/t21-,26?/m0/s1 | 5 | |
| 927 | 63 | 57 | | | 753.326144704 | [H][C@]12CN(C(=O)CCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C42H47N3O10/c1-25-7-5-10-30(46)9-4-2-3-8-28-18-33(47)40(41(51)39(28)42(52)55-25)31(27-13-14-34-35(19-27)54-24-53-34)20-36(48)43-16-15-37(49)44-21-26-17-29(23-44)32-11-6-12-38(50)45(32)22-26/h3,6,8,11-14,18-19,25-26,29,31,47,51H,2,4-5,7,9-10,15-17,20-24H2,1H3,(H,43,48)/t25-,26+,29-,31?/m0/s1 | 7 | |
| 928 | 54 | 49 | | | 668.2733808600001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NC3CCc4ccccc4N=C3O)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H40N2O9/c1-22-8-7-12-26(41)11-4-2-3-10-25-18-30(42)35(36(44)34(25)38(46)49-22)27(24-15-17-31-32(19-24)48-21-47-31)20-33(43)39-29-16-14-23-9-5-6-13-28(23)40-37(29)45/h3,5-6,9-10,13,15,17-19,22,27,29,42,44H,2,4,7-8,11-12,14,16,20-21H2,1H3,(H,39,43)(H,40,45)/t22-,27?,29?/m0/s1 | 6 | |
| 929 | 54 | 49 | | | 682.2348871760001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCc3cccc(-c4nccs4)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H38N2O8S/c1-23-7-5-12-28(41)11-4-2-3-9-26-18-30(42)35(36(44)34(26)38(45)48-23)29(25-13-14-31-32(19-25)47-22-46-31)20-33(43)40-21-24-8-6-10-27(17-24)37-39-15-16-49-37/h3,6,8-10,13-19,23,29,42,44H,2,4-5,7,11-12,20-22H2,1H3,(H,40,43)/t23-,29?/m0/s1 | 6 | |
| 930 | 49 | 45 | | | 634.234887176 | Cc1csc(CCNC(=O)CC(c2ccc3c(c2)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)n1 | | InChI=1S/C34H38N2O8S/c1-20-18-45-30(36-20)13-14-35-29(39)17-25(22-11-12-27-28(16-22)43-19-42-27)32-26(38)15-23-8-4-3-5-9-24(37)10-6-7-21(2)44-34(41)31(23)33(32)40/h4,8,11-12,15-16,18,21,25,38,40H,3,5-7,9-10,13-14,17,19H2,1-2H3,(H,35,39)/t21-,25?/m0/s1 | 5 | |
| 931 | 48 | 44 | | | 620.2192371120001 | Cc1nc(CNC(=O)CC(c2ccc3c(c2)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cs1 | | InChI=1S/C33H36N2O8S/c1-19-7-6-10-24(36)9-5-3-4-8-22-13-26(37)31(32(39)30(22)33(40)43-19)25(21-11-12-27-28(14-21)42-18-41-27)15-29(38)34-16-23-17-44-20(2)35-23/h4,8,11-14,17,19,25,37,39H,3,5-7,9-10,15-16,18H2,1-2H3,(H,34,38)/t19-,25?/m0/s1 | 5 | |
| 932 | 52 | 48 | | | 661.263544448 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCc3cc(=O)n(C)c(=O)n3C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39N3O10/c1-20-8-7-11-24(39)10-6-4-5-9-22-14-26(40)32(33(43)31(22)34(44)48-20)25(21-12-13-27-28(15-21)47-19-46-27)17-29(41)36-18-23-16-30(42)38(3)35(45)37(23)2/h5,9,12-16,20,25,40,43H,4,6-8,10-11,17-19H2,1-3H3,(H,36,41)/t20-,25?/m0/s1 | 5 | |
| 933 | 52 | 48 | | | 657.268629828 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NCCC(=O)Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39N3O9/c1-22-8-7-11-25(40)10-4-2-3-9-24-18-27(41)34(35(44)33(24)36(45)48-22)26(23-13-14-28-29(19-23)47-21-46-28)20-32(43)38-17-15-31(42)39-30-12-5-6-16-37-30/h3,5-6,9,12-14,16,18-19,22,26,41,44H,2,4,7-8,10-11,15,17,20-21H2,1H3,(H,38,43)(H,37,39,42)/t22-,26?/m0/s1 | 5 | |
| 934 | 65 | 59 | | | 781.3574448319999 | [H][C@]12CN(C(=O)[C@@H](NC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C4)C(C)C)C[C@]([H])(C1)c1cccc(=O)n1C2 | | InChI=1S/C44H51N3O10/c1-25(2)41(43(53)46-21-27-17-30(23-46)33-13-8-14-38(51)47(33)22-27)45-37(50)20-32(28-15-16-35-36(19-28)56-24-55-35)40-34(49)18-29-10-5-4-6-11-31(48)12-7-9-26(3)57-44(54)39(29)42(40)52/h5,8,10,13-16,18-19,25-27,30,32,41,49,52H,4,6-7,9,11-12,17,20-24H2,1-3H3,(H,45,50)/t26-,27+,30-,32?,41-/m0/s1 | 7 | |
| 935 | 50 | 45 | | | 618.2941163040001 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)NC3CN4CCC3CC4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H42N2O8/c1-21-6-5-9-25(38)8-4-2-3-7-24-16-28(39)33(34(41)32(24)35(42)45-21)26(23-10-11-29-30(17-23)44-20-43-29)18-31(40)36-27-19-37-14-12-22(27)13-15-37/h3,7,10-11,16-17,21-22,26-27,39,41H,2,4-6,8-9,12-15,18-20H2,1H3,(H,36,40)/t21-,26?,27?/m0/s1 | 7 | |
| 936 | 46 | 43 | | | 597.2573964479999 | COC(CNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2)OC | | InChI=1S/C32H39NO10/c1-19-8-7-11-22(34)10-6-4-5-9-21-14-24(35)30(31(37)29(21)32(38)43-19)23(16-27(36)33-17-28(39-2)40-3)20-12-13-25-26(15-20)42-18-41-25/h5,9,12-15,19,23,28,35,37H,4,6-8,10-11,16-18H2,1-3H3,(H,33,36)/t19-,23?/m0/s1 | 4 | |
| 937 | 57 | 54 | | | 759.44050576 | [H][C@@]12OC(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@H](C)[C@@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@](C)(O)C[C@@H](C)C(=O)[C@@H]2C | | InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31-,32+,34+,36-,37-,38-/m1/s1 | 4 | |
| 938 | 67 | 65 | | | 951.4861356240001 | CCC1OC(=O)C(C)C(OC2CC(C)(CC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCOC(=O)CC(S)OC(=O)O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C45H77NO18S/c1-14-29-45(11,56)37(50)24(5)34(49)22(3)20-44(10,55)39(25(6)35(26(7)40(52)60-29)62-32-21-43(9,15-2)38(51)27(8)59-32)64-41-36(28(46(12)13)18-23(4)58-41)61-30(47)16-17-57-31(48)19-33(65)63-42(53)54/h22-29,32-33,35-39,41,50-51,55-56,65H,14-21H2,1-13H3,(H,53,54) | 3 | |
| 939 | 16 | 16 | | | 226.193280072 | CC1CCCCCCCCCCCOC1=O | | InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-16-14(13)15/h13H,2-12H2,1H3 | 1 | |
| 940 | 49 | 45 | | | 643.208732004 | C[C@H]1CCCC(=O)CCCC=Cc2cc(O)c(C(CC(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C32H37NO11S/c1-18-6-5-9-21(34)8-4-2-3-7-20-12-24(35)30(31(38)29(20)32(39)44-18)22(19-10-11-26-27(13-19)43-17-42-26)14-28(37)33-23-15-45(40,41)16-25(23)36/h3,7,10-13,18,22-23,25,35-36,38H,2,4-6,8-9,14-17H2,1H3,(H,33,37)/t18-,22?,23-,25+/m0/s1 | 5 | |
| 941 | 45 | 42 | | | 479.2671732840001 | [H][C@]1(C)CC=C[C@]2([H])[C@]3(OC(=O)C=C[C@]([H])(O)CCC1)C(=O)N[C@@]([H])(Cc1ccccc1)[C@]3([H])[C@]([H])(C)C(=C)[C@@]2([H])O | | InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1 | 4 | |
| 942 | 16 | 16 | | | 228.13615912 | O=C1CCCCC(=O)OCCCCCCO1 | | InChI=1S/C12H20O4/c13-11-7-3-4-8-12(14)16-10-6-2-1-5-9-15-11/h1-10H2 | 1 | |
| 943 | 27 | 25 | | | 364.07136594400004 | C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | 3 | |
| 944 | 60 | 57 | | | 813.4510704439999 | CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O | | InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1 | 4 | |
| 945 | 39 | 36 | | | 477.25152322 | [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]13OC(=O)C=CC(=O)CCC[C@@H](C)CC=C[C@H]3[C@H](O)C(=C)[C@H]2C | | InChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,23+,24+,26+,27-,29-/m1/s1 | 4 | |
| 946 | 54 | 52 | | | 748.4721402360001 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)/C(=N\O)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27+ | 3 | |
| 947 | 16 | 16 | | | 228.13615912 | O=C1CCCCCOC(=O)CCCCCO1 | | InChI=1S/C12H20O4/c13-11-7-3-1-5-9-15-12(14)8-4-2-6-10-16-11/h1-10H2 | 1 | |
| 948 | 53 | 51 | | | 734.49287568 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N)C(C)C(O)C1(C)O | | InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3 | 3 | |
| 949 | 53 | 51 | | | 734.49287568 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | |
| 950 | 26 | 25 | | | 347.1732729 | COc1cc(O)c2c(c1)C=CCCCC(=NO)CCCC(C)OC2=O | | InChI=1S/C19H25NO5/c1-13-7-6-10-15(20-23)9-5-3-4-8-14-11-16(24-2)12-17(21)18(14)19(22)25-13/h4,8,11-13,21,23H,3,5-7,9-10H2,1-2H3 | 2 | |
| 951 | 56 | 53 | | | 731.3054092600001 | COc1cc(C(CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c(O)cc3c(c2O)C(=O)OC(C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C39H45N3O11/c1-22-9-8-12-27(43)11-7-5-6-10-24-17-29(44)35(36(47)34(24)39(49)53-22)28(25-18-30(50-2)37(52-4)31(19-25)51-3)20-32(45)41-21-33(46)42-26-15-13-23(14-16-26)38(40)48/h6,10,13-19,22,28,44,47H,5,7-9,11-12,20-21H2,1-4H3,(H2,40,48)(H,41,45)(H,42,46) | 4 | |
| 952 | 48 | 45 | | | 616.2896996200001 | COc1ccc(C(CC(=O)NCCNc2ncccn2)c2c(O)cc3c(c2O)C(=O)OC(C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C34H40N4O7/c1-22-8-6-11-25(39)10-5-3-4-9-24-20-28(40)31(32(42)30(24)33(43)45-22)27(23-12-14-26(44-2)15-13-23)21-29(41)35-18-19-38-34-36-16-7-17-37-34/h4,7,9,12-17,20,22,27,40,42H,3,5-6,8,10-11,18-19,21H2,1-2H3,(H,35,41)(H,36,37,38) | 4 | |
| 953 | 51 | 48 | | | 660.3046809880001 | COc1cc(C(CC(=O)NCCc2ccccn2)c2c(O)cc3c(c2O)C(=O)OC(C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C37H44N2O9/c1-23-11-10-15-27(40)14-7-5-6-12-24-19-29(41)34(35(43)33(24)37(44)48-23)28(22-32(42)39-18-16-26-13-8-9-17-38-26)25-20-30(45-2)36(47-4)31(21-25)46-3/h6,8-9,12-13,17,19-21,23,28,41,43H,5,7,10-11,14-16,18,22H2,1-4H3,(H,39,42) | 4 | |
| 954 | 54 | 52 | | | 748.4721402359999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NO)C(C)C(O)C1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3 | 3 | |
| 955 | 40 | 37 | | | 498.2406241879999 | CC1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2C(=O)O1 | | InChI=1S/C32H34O5/c1-24-12-11-19-28(33)18-10-4-9-17-27-20-29(35-22-25-13-5-2-6-14-25)21-30(31(27)32(34)37-24)36-23-26-15-7-3-8-16-26/h2-3,5-9,13-17,20-21,24H,4,10-12,18-19,22-23H2,1H3 | 4 | |
| 956 | 51 | 48 | | | 663.3155800200001 | COc1cc(C(CC(=O)NCCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)OC(C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C36H45N3O9/c1-23-10-8-13-26(40)12-7-5-6-11-24-18-28(41)33(34(43)32(24)36(44)48-23)27(21-31(42)38-14-9-16-39-17-15-37-22-39)25-19-29(45-2)35(47-4)30(20-25)46-3/h6,11,15,17-20,22-23,27,41,43H,5,7-10,12-14,16,21H2,1-4H3,(H,38,42) | 4 | |
| 957 | 55 | 51 | | | 699.3155800200001 | COc1cc(C(CC(=O)NCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)OC(C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-23-11-10-14-26(43)13-7-5-6-12-24-19-30(44)36(37(46)35(24)39(47)51-23)27(25-20-31(48-2)38(50-4)32(21-25)49-3)22-34(45)40-18-17-33-41-28-15-8-9-16-29(28)42-33/h6,8-9,12,15-16,19-21,23,27,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,40,45)(H,41,42) | 5 | |
| 958 | 47 | 45 | | | 613.288696576 | [H]C(C)(O)CNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)OC(C)CCCC(=O)CCCC=C2 | | InChI=1S/C33H43NO10/c1-19(35)18-34-28(38)17-24(22-15-26(41-3)32(43-5)27(16-22)42-4)30-25(37)14-21-11-7-6-8-12-23(36)13-9-10-20(2)44-33(40)29(21)31(30)39/h7,11,14-16,19-20,24,35,37,39H,6,8-10,12-13,17-18H2,1-5H3,(H,34,38) | 3 | |
| 959 | 51 | 47 | | | 638.2992016840001 | COc1ccc(C(CC(=O)NCCc2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)OC(C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C38H42N2O7/c1-24-9-8-12-28(41)11-5-3-4-10-26-21-33(42)36(37(44)35(26)38(45)47-24)31(25-15-17-29(46-2)18-16-25)22-34(43)39-20-19-27-23-40-32-14-7-6-13-30(27)32/h4,6-7,10,13-18,21,23-24,31,40,42,44H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,43) | 5 | |
| 960 | 58 | 55 | | | 759.3367093880001 | COc1cc(C(CC(=O)NCCC(=O)Nc2ccc(NC(C)=O)cc2)c2c(O)cc3c(c2O)C(=O)OC(C)CCCC(=O)CCCC=C3)cc(OC)c1OC | | InChI=1S/C41H49N3O11/c1-24-10-9-13-30(46)12-8-6-7-11-26-20-32(47)38(39(50)37(26)41(51)55-24)31(27-21-33(52-3)40(54-5)34(22-27)53-4)23-36(49)42-19-18-35(48)44-29-16-14-28(15-17-29)43-25(2)45/h7,11,14-17,20-22,24,31,47,50H,6,8-10,12-13,18-19,23H2,1-5H3,(H,42,49)(H,43,45)(H,44,48) | 4 | |
| 961 | 49 | 46 | | | 631.278131892 | COc1ccc(C(CC(=O)NCC(O)c2cccc(O)c2)c2c(O)cc3c(c2O)C(=O)OC(C)CCCC(=O)CCCC=C3)cc1 | | InChI=1S/C36H41NO9/c1-22-8-6-12-26(38)11-5-3-4-9-25-19-30(40)34(35(43)33(25)36(44)46-22)29(23-14-16-28(45-2)17-15-23)20-32(42)37-21-31(41)24-10-7-13-27(39)18-24/h4,7,9-10,13-19,22,29,31,39-41,43H,3,5-6,8,11-12,20-21H2,1-2H3,(H,37,42) | 4 | |
| 962 | 38 | 35 | | | 477.2515232199999 | C=C1[C@@H](C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C=CC(=O)CCC[C@@H](C)CC=C[C@H]3[C@@H]1O | | InChI=1S/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,23+,24+,26?,27-,29-/m1/s1 | 4 | |
| 963 | 52 | 50 | | | 719.44559114 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 | 3 | |
| 964 | 27 | 26 | | | 362.136553044 | COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O | | InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3 | 2 | |
| 965 | 74 | 67 | | | 954.380463616 | COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](O)C[C@H](O[C@H]3CCC[C@@H]4[C@@H]3C=C[C@H]3CCCCC=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)OC(=O)[C@@]43C)O[C@@H]2C)O[C@H](C)[C@H]1O | | InChI=1S/C50H63ClO16/c1-24-23-50-29(20-31(24)45(55)56)13-10-8-7-9-12-28-16-17-30-32(49(28,5)48(59)66-43(44(50)54)47(58)67-50)14-11-15-35(30)63-38-21-34(52)42(27(4)62-38)65-39-22-37(41(53)26(3)61-39)64-46(57)40-25(2)33(51)18-19-36(40)60-6/h10,13,16-20,24,26-30,32,34-35,37-39,41-42,52-54H,7-9,11-12,14-15,21-23H2,1-6H3,(H,55,56)/t24-,26-,27-,28-,29-,30+,32-,34-,35+,37-,38+,39+,41-,42-,49-,50+/m1/s1 | 8 | |
| 966 | 54 | 52 | | | 749.456155824 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@]1(C)O | | InChI=1S/C37H67NO14/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(52-34-28(40)24(38(11,12)46)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26-,28-,29+,30-,31+,32-,34+,35-,36-,37+/m1/s1 | 3 | |
| 967 | 22 | 22 | | | 308.198759376 | CO[C@H]1C=C[C@@](C)(O)C=CC(=O)O[C@H](C)[C@@H](C)CCC=C1C | | InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/t13-,15+,16-,18+/m0/s1 | 1 | |
| 968 | 23 | 23 | | | 328.224974124 | CCCCCC1CCCCCC(O)CC(O)C(O)C=CC(=O)O1 | | InChI=1S/C18H32O5/c1-2-3-5-9-15-10-7-4-6-8-14(19)13-17(21)16(20)11-12-18(22)23-15/h11-12,14-17,19-21H,2-10,13H2,1H3 | 1 | |
| 969 | 27 | 26 | | | 362.136553044 | COc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)C(=O)C=CC[C@H](C)OC2=O | | InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/t11-,15-,18+/m0/s1 | 2 | |
| 970 | 51 | 48 | | | 687.4193763919999 | CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O | | InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1 | 4 | |
| 971 | 55 | 53 | | | 762.4877902999999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C38H70N2O13/c1-15-26-38(10,46)31(42)21(4)28(39-48-14)19(2)17-36(8,45)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-37(9,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | |
| 972 | 29 | 27 | | | 395.176644028 | CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | | InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/t13-,15-,16-,17+,20-/m1/s1 | 3 | |
| 973 | 62 | 58 | | | 811.47314328 | CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C | | InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1 | 5 | |
| 974 | 44 | 43 | | | 613.3825969599999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O | | InChI=1S/C32H55NO10/c1-13-24-31(8,38)15-17(2)25(35)18(3)16-32(9,39-12)28(20(5)26(36)21(6)29(37)42-24)43-30-27(41-22(7)34)23(33(10)11)14-19(4)40-30/h15,18-21,23-24,26-28,30,36,38H,13-14,16H2,1-12H3/t18-,19-,20+,21-,23+,24-,26+,27-,28-,30+,31+,32+/m1/s1 | 2 | |
| 975 | 53 | 51 | | | 729.466326584 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O | | InChI=1S/C38H67NO12/c1-15-27-36(8,44)17-20(2)29(40)21(3)18-38(10,46-14)33(51-35-30(41)26(39(11)12)16-22(4)47-35)23(5)31(24(6)34(43)49-27)50-28-19-37(9,45-13)32(42)25(7)48-28/h17,21-28,30-33,35,41-42,44H,15-16,18-19H2,1-14H3/t21-,22-,23+,24-,25+,26+,27-,28+,30-,31+,32+,33-,35+,36+,37-,38-/m1/s1 | 3 | |
| 976 | 38 | 35 | | | 479.26717328399997 | C=C1[C@@H](C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C=C[C@H](O)CCC[C@@H](C)CC=C[C@H]3[C@@H]1O | | InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/t18-,19-,22-,23+,24+,26?,27-,29-/m1/s1 | 4 | |
| 977 | 52 | 50 | | | 719.44559114 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C36H65NO13/c1-13-24-36(10,44)29(40)19(4)26(38)17(2)15-34(8,43)31(50-33-27(39)23(37-11)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-35(9,45-12)30(41)22(7)47-25/h17-25,27-31,33,37,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 | 3 | |
| 978 | 55 | 53 | | | 763.471805888 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C38H69NO14/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,48-14)33(53-35-29(41)25(39(11,12)46)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-36(8,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | |
| 979 | 26 | 25 | | | 346.17802393200003 | COc1cc2c(c(OC)c1)C(=O)OC(C)CCCC(=O)CCCC=C2 | | InChI=1S/C20H26O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h5,9,12-14H,4,6-8,10-11H2,1-3H3 | 2 | |
| 980 | 26 | 25 | | | 346.17802393200003 | COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C20H26O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h5,9,12-14H,4,6-8,10-11H2,1-3H3/b9-5+/t14-/m0/s1 | 2 | |
| 981 | 38 | 34 | | | 448.094688232 | O=C1Oc2ccccc2C(=O)c2ccccc2C(=O)Oc2ccccc2C(=O)c2ccccc21 | | InChI=1S/C28H16O6/c29-25-17-9-1-3-11-19(17)27(31)33-24-16-8-6-14-22(24)26(30)18-10-2-4-12-20(18)28(32)34-23-15-7-5-13-21(23)25/h1-16H | 5 | |
| 982 | 60 | 58 | | | 836.5245697319999 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)/C(=N\OCOCCOC)C(C)C(O)C1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+ | 3 | |
| 983 | 48 | 45 | | | 614.251582796 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3/b9-5+/t24-/m0/s1 | 4 | |
| 984 | 44 | 41 | | | 634.0847347800001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1 | 4 | |
| 985 | 44 | 41 | | | 636.100384844 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H32Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h10-17,20H,2-9,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 986 | 44 | 41 | | | 636.100384844 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H32Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h10-17,20H,2-9,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 987 | 33 | 31 | | | 462.13646473599994 | C[C@@H]1CCCCCCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H28Cl2O4/c1-17-9-7-5-3-2-4-6-8-10-18-13-21(15-23(28)24(18)25(29)31-17)30-16-19-11-12-20(26)14-22(19)27/h8,10-15,17,28H,2-7,9,16H2,1H3/b10-8+/t17-/m1/s1 | 3 | |
| 988 | 33 | 31 | | | 462.13646473599994 | C[C@@H]1CCCCCCC/C=C/c2cc(OCc3ccc(Cl)c(Cl)c3)cc(O)c2C(=O)O1 | | InChI=1S/C25H28Cl2O4/c1-17-9-7-5-3-2-4-6-8-10-19-14-20(15-23(28)24(19)25(29)31-17)30-16-18-11-12-21(26)22(27)13-18/h8,10-15,17,28H,2-7,9,16H2,1H3/b10-8+/t17-/m1/s1 | 3 | |
| 989 | 34 | 32 | | | 442.19915329999986 | COC(=O)c1ccc(COc2cc(O)c3c(c2)/C=C/CCCCCCC[C@@H](C)OC3=O)o1 | | InChI=1S/C25H30O7/c1-17-10-8-6-4-3-5-7-9-11-18-14-20(15-21(26)23(18)25(28)31-17)30-16-19-12-13-22(32-19)24(27)29-2/h9,11-15,17,26H,3-8,10,16H2,1-2H3/b11-9+/t17-/m1/s1 | 3 | |
| 990 | 48 | 45 | | | 616.2672328599999 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C36H40O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h12-21,24H,4-11,22-23H2,1-3H3/t24-/m0/s1 | 4 | |
| 991 | 44 | 41 | | | 634.08473478 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1 | 4 | |
| 992 | 44 | 41 | | | 604.1594859239999 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H32Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h6-7,12-17,20H,2-5,8-11,18-19H2,1H3/t20-/m0/s1 | 4 | |
| 993 | 58 | 53 | | | 730.4808544519999 | CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)COc5cc(O)c6c(c5)/C=C/CCCC(=O)CCCCOC6=O)CCC4(C)C3CCC12C | | InChI=1S/C46H66O7/c1-30(2)12-11-13-31(3)38-19-20-39-37-18-17-33-27-35(21-23-45(33,4)40(37)22-24-46(38,39)5)53-42(49)29-52-36-26-32-14-7-6-8-15-34(47)16-9-10-25-51-44(50)43(32)41(48)28-36/h7,14,17,26,28,30-31,35,37-40,48H,6,8-13,15-16,18-25,27,29H2,1-5H3/b14-7+ | 6 | |
| 994 | 30 | 30 | | | 433.2675672079999 | CCC1OC(=O)C(C)C(O)C(C)C(O)CC(C)(O)C(C)/C(=N/O)C(C)C(O)C1(C)O | | InChI=1S/C21H39NO8/c1-8-15-21(7,28)18(25)11(3)16(22-29)13(5)20(6,27)9-14(23)10(2)17(24)12(4)19(26)30-15/h10-15,17-18,23-25,27-29H,8-9H2,1-7H3/b22-16+ | 1 | |
| 995 | 30 | 30 | | | 433.2675672079999 | CCC1OC(=O)C(C)C(O)C(C)C(O)C(C)(O)CC(C)/C(=N\O)C(C)C(O)C1(C)O | | InChI=1S/C21H39NO8/c1-8-14-21(7,28)18(25)11(3)15(22-29)10(2)9-20(6,27)17(24)12(4)16(23)13(5)19(26)30-14/h10-14,16-18,23-25,27-29H,8-9H2,1-7H3/b22-15+ | 1 | |
| 996 | 15 | 15 | | | 212.177630008 | O=C1CCCCCCCCCCCCO1 | | InChI=1S/C13H24O2/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-15-13/h1-12H2 | 1 | |
| 997 | 16 | 16 | | | 226.193280072 | CC1CCCCCCCCCCCOC1=O | | InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-16-14(13)15/h13H,2-12H2,1H3 | 1 | |
| 998 | 54 | 52 | | | 748.472140236 | CCC1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)/C(=N/O)C(C)[C@@H](O)[C@@]1(C)O | | InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27-/t18-,19?,20?,21?,22+,23?,24?,25?,26?,28?,29+,30+,31?,32-,34?,35-,36?,37-/m0/s1 | 3 | |
| 999 | 44 | 41 | | | 602.1438358600001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3c(F)cccc3Cl)cc(OCc3c(F)cccc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3/b9-3+/t20-/m0/s1 | 4 | |
| 1000 | 35 | 33 | | | 456.17841785599995 | COC(=O)c1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)o1 | | InChI=1S/C25H28O8/c1-16-7-6-10-18(26)9-5-3-4-8-17-13-20(14-21(27)23(17)25(29)32-16)31-15-19-11-12-22(33-19)24(28)30-2/h4,8,11-14,16,27H,3,5-7,9-10,15H2,1-2H3/b8-4+/t16-/m0/s1 | 3 | |
| 1001 | 34 | 32 | | | 436.1885886159999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C26H28O6/c1-18-9-8-14-21(27)13-7-3-6-12-20-15-22(16-23(28)25(20)26(30)32-18)31-17-24(29)19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,28H,3,7-9,13-14,17H2,1H3/b12-6+/t18-/m0/s1 | 3 | |
| 1002 | 44 | 41 | | | 634.0847347800001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)c(Cl)c3)cc(OCc3ccc(Cl)c(Cl)c3)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-24(37)8-4-2-3-7-23-16-25(39-18-21-10-12-26(33)28(35)14-21)17-30(31(23)32(38)41-20)40-19-22-11-13-27(34)29(36)15-22/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1 | 4 | |
| 1003 | 48 | 45 | | | 614.251582796 | COC(=O)c1ccc(COc2cc3c(c(OCc4ccc(C(=O)OC)cc4)c2)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3/b9-5+/t24-/m0/s1 | 4 | |
| 1004 | 44 | 41 | | | 634.0847347800001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(OCc3ccc(Cl)cc3Cl)c2C(=O)O1 | | InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1 | 4 | |
| 1005 | 60 | 58 | | | 836.524569732 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)/C(=N\OCOCCOC)C(C)C(O)C1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+ | 3 | |
| 1006 | 17 | 17 | | | 241.167793596 | O=C1CCCCCCCC/C(=N\O)CCCO1 | | InChI=1S/C13H23NO3/c15-13-10-6-4-2-1-3-5-8-12(14-16)9-7-11-17-13/h16H,1-11H2/b14-12+ | 1 | |
| 1007 | 54 | 51 | | | 731.481976648 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)CC2(C)OC1(C)C2O | | InChI=1S/C38H69NO12/c1-15-26-38(10)34(43)37(9,51-38)18-20(2)17-36(8,45-14)31(50-33-28(40)25(39(11)12)16-21(3)46-33)22(4)29(23(5)32(42)48-26)49-27-19-35(7,44-13)30(41)24(6)47-27/h20-31,33-34,40-41,43H,15-19H2,1-14H3 | 5 | |
| 1008 | 36 | 33 | | | 448.1885886159999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccccc1)CC(=O)O3 | | InChI=1S/C27H28O6/c1-17-9-8-14-20(28)13-7-3-6-12-19-15-22-25(26(30)24(19)27(31)32-17)21(16-23(29)33-22)18-10-4-2-5-11-18/h2,4-6,10-12,15,17,21,30H,3,7-9,13-14,16H2,1H3/b12-6+ | 4 | |
| 1009 | 27 | 26 | | | 363.204573028 | COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC/C(=N/O)CCCCC2 | | InChI=1S/C20H29NO5/c1-14-8-7-11-16(21-23)10-6-4-5-9-15-12-17(24-2)13-18(25-3)19(15)20(22)26-14/h12-14,23H,4-11H2,1-3H3/b21-16+/t14-/m0/s1 | 2 | |
| 1010 | 54 | 51 | | | 730.461575552 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@]2(C)CC(C)/C(=N/[C@H](C)[C@@H](O)[C@]1(C)O)O2 | | InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/b38-32-/t18?,19-,20+,21-,22-,23-,24+,25-,26?,27-,28+,29-,30-,31-,34?,35+,36+,37-/m1/s1 | 4 | |
| 1011 | 32 | 30 | | | 408.1936739959999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H28O5/c1-18-9-8-14-21(26)13-7-3-6-12-20-15-22(16-23(27)24(20)25(28)30-18)29-17-19-10-4-2-5-11-19/h2,4-6,10-12,15-16,18,27H,3,7-9,13-14,17H2,1H3/b12-6+/t18-/m0/s1 | 3 | |
| 1012 | 33 | 31 | | | 423.240958536 | C[C@H]1CCCC(NCCc2ccccc2)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C26H33NO4/c1-19-9-8-14-22(27-16-15-20-10-4-2-5-11-20)13-7-3-6-12-21-17-23(28)18-24(29)25(21)26(30)31-19/h2,4-6,10-12,17-19,22,27-29H,3,7-9,13-16H2,1H3/b12-6+/t19-,22?/m0/s1 | 3 | |
| 1013 | 25 | 24 | | | 336.19367399600003 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@@H](O)CCCCC2 | | InChI=1S/C19H28O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h11-13,15,20-21H,3-10H2,1-2H3/t13-,15-/m0/s1 | 2 | |
| 1014 | 46 | 42 | | | 578.299201684 | COc1cc(OCC(O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C33H42N2O7/c1-22-8-6-11-26(36)10-5-3-4-9-24-15-28(16-30(40-2)32(24)33(39)42-22)41-21-27(37)20-34-17-23-14-25(19-34)29-12-7-13-31(38)35(29)18-23/h4,7,9,12-13,15-16,22-23,25,27,37H,3,5-6,8,10-11,14,17-21H2,1-2H3/b9-4+/t22-,23-,25+,27?/m0/s1 | 5 | |
| 1015 | 30 | 28 | | | 388.18858861599995 | COc1cc(OCC2CO2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C22H28O6/c1-15-7-6-10-17(23)9-5-3-4-8-16-11-18(26-13-19-14-27-19)12-20(25-2)21(16)22(24)28-15/h4,8,11-12,15,19H,3,5-7,9-10,13-14H2,1-2H3/b8-4+/t15-,19?/m0/s1 | 3 | |
| 1016 | 42 | 39 | | | 526.1991532999999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c2C(=O)O1 | | InChI=1S/C32H30O7/c1-22-12-11-19-26(33)18-10-4-9-17-25-20-27(38-30(34)23-13-5-2-6-14-23)21-28(29(25)32(36)37-22)39-31(35)24-15-7-3-8-16-24/h2-3,5-9,13-17,20-22H,4,10-12,18-19H2,1H3/b17-9+/t22-/m0/s1 | 4 | |
| 1017 | 35 | 33 | | | 453.1787522039999 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27NO7/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)33-17)32-16-18-10-12-20(13-11-18)26(30)31/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/b7-3+/t17-/m1/s1 | 3 | |
| 1018 | 25 | 24 | | | 334.178023932 | COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C19H26O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h11-13,21H,3-10H2,1-2H3/t13-/m0/s1 | 2 | |
| 1019 | 41 | 38 | | | 525.23626708 | COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(17-26(34-2)28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1 | 4 | |
| 1020 | 41 | 38 | | | 525.23626708 | COc1cc2c(c(OCC(=O)Nc3ccc4c(c3)OCCO4)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(34-2)17-26(28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1 | 4 | |
| 1021 | 33 | 32 | | | 447.26208790399994 | COc1cc2c(c(OCC(O)CNC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C25H37NO6/c1-17(2)26-15-21(28)16-31-23-14-22(30-4)13-19-10-6-5-7-11-20(27)12-8-9-18(3)32-25(29)24(19)23/h6,10,13-14,17-18,21,26,28H,5,7-9,11-12,15-16H2,1-4H3/b10-6+/t18-,21?/m0/s1 | 2 | |
| 1022 | 32 | 31 | | | 433.24643784 | COc1cc(OCC(=O)NC(C)C)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C24H35NO6/c1-16(2)25-22(27)15-30-20-13-18-10-6-5-7-11-19(26)12-8-9-17(3)31-24(28)23(18)21(14-20)29-4/h13-14,16-17H,5-12,15H2,1-4H3,(H,25,27)/t17-/m0/s1 | 2 | |
| 1023 | 37 | 35 | | | 485.2213659639999 | COc1cc2c(c(OCC(=O)Nc3cccc(F)c3)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C27H32FNO6/c1-18-8-6-13-22(30)12-5-3-4-9-19-14-23(33-2)16-24(26(19)27(32)35-18)34-17-25(31)29-21-11-7-10-20(28)15-21/h7,10-11,14-16,18H,3-6,8-9,12-13,17H2,1-2H3,(H,29,31)/t18-/m0/s1 | 3 | |
| 1024 | 38 | 36 | | | 497.2413524599999 | COc1ccc(NC(=O)COc2cc3c(c(OC)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C28H35NO7/c1-19-8-7-11-22(30)10-6-4-5-9-20-16-24(17-25(34-3)27(20)28(32)36-19)35-18-26(31)29-21-12-14-23(33-2)15-13-21/h12-17,19H,4-11,18H2,1-3H3,(H,29,31)/t19-/m0/s1 | 3 | |
| 1025 | 37 | 35 | | | 478.2719243159999 | Cc1c(C)c(C)c(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c(C)c1C | | InChI=1S/C30H38O5/c1-18-11-10-14-25(31)13-9-7-8-12-24-15-26(16-28(32)29(24)30(33)35-18)34-17-27-22(5)20(3)19(2)21(4)23(27)6/h8,12,15-16,18,32H,7,9-11,13-14,17H2,1-6H3/b12-8+/t18-/m0/s1 | 3 | |
| 1026 | 32 | 30 | | | 410.2093240599999 | C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccccc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H30O5/c1-18-9-8-14-21(26)13-7-3-6-12-20-15-22(16-23(27)24(20)25(28)30-18)29-17-19-10-4-2-5-11-19/h2,4-5,10-11,15-16,18,27H,3,6-9,12-14,17H2,1H3/t18-/m0/s1 | 3 | |
| 1027 | 37 | 34 | | | 464.2198887439999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OCC3CO3)c2C(=O)O1 | | InChI=1S/C28H32O6/c1-20-9-8-14-23(29)13-7-3-6-12-22-15-24(31-17-21-10-4-2-5-11-21)16-26(27(22)28(30)34-20)33-19-25-18-32-25/h2,4-6,10-12,15-16,20,25H,3,7-9,13-14,17-19H2,1H3/b12-6+/t20-,25?/m0/s1 | 4 | |
| 1028 | 36 | 34 | | | 464.2562742519999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(C(C)(C)C)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C29H36O5/c1-20-9-8-12-24(30)11-7-5-6-10-22-17-25(18-26(31)27(22)28(32)34-20)33-19-21-13-15-23(16-14-21)29(2,3)4/h6,10,13-18,20,31H,5,7-9,11-12,19H2,1-4H3/b10-6+/t20-/m0/s1 | 3 | |
| 1029 | 33 | 31 | | | 442.15470164399994 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3cccc(Cl)c3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-7-5-12-21(27)11-4-2-3-9-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-8-6-10-20(26)13-18/h3,6,8-10,13-15,17,28H,2,4-5,7,11-12,16H2,1H3/b9-3+/t17-/m0/s1 | 3 | |
| 1030 | 36 | 34 | | | 466.1991532999999 | COC(=O)c1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@@H](C)OC3=O)cc1 | | InChI=1S/C27H30O7/c1-18-7-6-10-22(28)9-5-3-4-8-21-15-23(16-24(29)25(21)27(31)34-18)33-17-19-11-13-20(14-12-19)26(30)32-2/h4,8,11-16,18,29H,3,5-7,9-10,17H2,1-2H3/b8-4+/t18-/m1/s1 | 3 | |
| 1031 | 38 | 35 | | | 472.2249741239999 | Cc1ccc2ccccc2c1COc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@@H](C)OC2=O | | InChI=1S/C30H32O5/c1-20-15-16-22-10-6-7-14-26(22)27(20)19-34-25-17-23-11-4-3-5-12-24(31)13-8-9-21(2)35-30(33)29(23)28(32)18-25/h4,6-7,10-11,14-18,21,32H,3,5,8-9,12-13,19H2,1-2H3/b11-4+/t21-/m1/s1 | 4 | |
| 1032 | 37 | 34 | | | 458.2093240599999 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc4ccccc4c3)cc(O)c2C(=O)O1 | | InChI=1S/C29H30O5/c1-20-8-7-13-25(30)12-4-2-3-11-24-17-26(18-27(31)28(24)29(32)34-20)33-19-21-14-15-22-9-5-6-10-23(22)16-21/h3,5-6,9-11,14-18,20,31H,2,4,7-8,12-13,19H2,1H3/b11-3+/t20-/m1/s1 | 4 | |
| 1033 | 32 | 31 | | | 433.24643783999994 | COc1cc2c(c(OCC(=O)NC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C24H35NO6/c1-16(2)25-22(27)15-30-21-14-20(29-4)13-18-10-6-5-7-11-19(26)12-8-9-17(3)31-24(28)23(18)21/h13-14,16-17H,5-12,15H2,1-4H3,(H,25,27)/t17-/m0/s1 | 2 | |
| 1034 | 38 | 36 | | | 497.2413524599999 | COc1ccc(NC(=O)COc2cc(OC)cc3c2C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1 | | InChI=1S/C28H35NO7/c1-19-8-7-11-22(30)10-6-4-5-9-20-16-24(34-3)17-25(27(20)28(32)36-19)35-18-26(31)29-21-12-14-23(33-2)15-13-21/h12-17,19H,4-11,18H2,1-3H3,(H,29,31)/t19-/m0/s1 | 3 | |
| 1035 | 37 | 35 | | | 501.19181542399997 | COc1cc(OCC(=O)Nc2ccccc2Cl)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 | | InChI=1S/C27H32ClNO6/c1-18-9-8-12-20(30)11-5-3-4-10-19-15-21(16-24(33-2)26(19)27(32)35-18)34-17-25(31)29-23-14-7-6-13-22(23)28/h6-7,13-16,18H,3-5,8-12,17H2,1-2H3,(H,29,31)/t18-/m0/s1 | 3 | |
| 1036 | 34 | 32 | | | 436.2249741239999 | Cc1ccc(C)c(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c1 | | InChI=1S/C27H32O5/c1-18-12-13-19(2)22(14-18)17-31-24-15-21-9-5-4-6-10-23(28)11-7-8-20(3)32-27(30)26(21)25(29)16-24/h5,9,12-16,20,29H,4,6-8,10-11,17H2,1-3H3/b9-5+/t20-/m0/s1 | 3 | |
| 1037 | 33 | 31 | | | 486.1041860639999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3Br)cc(O)c2C(=O)O1 | | InChI=1S/C25H27BrO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/b9-3+/t17-/m0/s1 | 3 | |
| 1038 | 33 | 31 | | | 426.18425218399994 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3F)cc(O)c2C(=O)O1 | | InChI=1S/C25H27FO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/b9-3+/t17-/m0/s1 | 3 | |
| 1039 | 33 | 31 | | | 442.15470164399994 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-10-12-20(26)13-11-18/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/b7-3+/t17-/m0/s1 | 3 | |
| 1040 | 43 | 40 | | | 551.2883026519999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OCC(O)CN3CCOCC3)c2C(=O)O1 | | InChI=1S/C32H41NO7/c1-24-9-8-14-27(34)13-7-3-6-12-26-19-29(38-22-25-10-4-2-5-11-25)20-30(31(26)32(36)40-24)39-23-28(35)21-33-15-17-37-18-16-33/h2,4-6,10-12,19-20,24,28,35H,3,7-9,13-18,21-23H2,1H3/b12-6+/t24-,28?/m0/s1 | 4 | |
| 1041 | 34 | 32 | | | 476.1157292919999 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3c(Cl)cccc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H26Cl2O5/c1-16-7-5-10-18(28)9-4-2-3-8-17-13-19(14-23(29)24(17)25(30)32-16)31-15-20-21(26)11-6-12-22(20)27/h3,6,8,11-14,16,29H,2,4-5,7,9-10,15H2,1H3/b8-3+/t16-/m1/s1 | 3 | |
| 1042 | 34 | 32 | | | 436.2249741239999 | Cc1cc(C)cc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@@H](C)OC3=O)c1 | | InChI=1S/C27H32O5/c1-18-12-19(2)14-21(13-18)17-31-24-15-22-9-5-4-6-10-23(28)11-7-8-20(3)32-27(30)26(22)25(29)16-24/h5,9,12-16,20,29H,4,6-8,10-11,17H2,1-3H3/b9-5+/t20-/m1/s1 | 3 | |
| 1043 | 34 | 32 | | | 476.1157292919999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H26Cl2O5/c1-16-6-5-9-20(28)8-4-2-3-7-17-12-21(14-23(29)24(17)25(30)32-16)31-15-18-10-11-19(26)13-22(18)27/h3,7,10-14,16,29H,2,4-6,8-9,15H2,1H3/b7-3+/t16-/m0/s1 | 3 | |
| 1044 | 33 | 31 | | | 442.15470164399994 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3Cl)cc(O)c2C(=O)O1 | | InChI=1S/C25H27ClO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/b9-3+/t17-/m1/s1 | 3 | |
| 1045 | 34 | 32 | | | 434.2093240599999 | C=Cc1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)cc1 | | InChI=1S/C27H30O5/c1-3-20-12-14-21(15-13-20)18-31-24-16-22-9-5-4-6-10-23(28)11-7-8-19(2)32-27(30)26(22)25(29)17-24/h3,5,9,12-17,19,29H,1,4,6-8,10-11,18H2,2H3/b9-5+/t19-/m0/s1 | 3 | |
| 1046 | 38 | 35 | | | 478.1991532999999 | COc1ccccc1C1CC(=O)Oc2cc3c(c(O)c21)C(=O)OC(C)CCCC(=O)CCC/C=C/3 | | InChI=1S/C28H30O7/c1-17-9-8-12-19(29)11-5-3-4-10-18-15-23-26(27(31)25(18)28(32)34-17)21(16-24(30)35-23)20-13-6-7-14-22(20)33-2/h4,6-7,10,13-15,17,21,31H,3,5,8-9,11-12,16H2,1-2H3/b10-4+ | 4 | |
| 1047 | 48 | 44 | | | 596.2774036199999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(OCc2ccc(C(C)C)cc2)cc1)CC(=O)O3 | | InChI=1S/C37H40O7/c1-23(2)26-14-12-25(13-15-26)22-42-30-18-16-27(17-19-30)31-21-33(39)44-32-20-28-9-5-4-6-10-29(38)11-7-8-24(3)43-37(41)34(28)36(40)35(31)32/h5,9,12-20,23-24,31,40H,4,6-8,10-11,21-22H2,1-3H3/b9-5+ | 5 | |
| 1048 | 43 | 40 | | | 552.2359327319999 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1OC | | InChI=1S/C31H36O9/c1-18-10-9-13-20(32)12-8-6-7-11-19-16-24-27(30(38-5)26(19)31(34)39-18)22(17-25(33)40-24)21-14-15-23(35-2)29(37-4)28(21)36-3/h7,11,14-16,18,22H,6,8-10,12-13,17H2,1-5H3/b11-7+/t18-,22?/m0/s1 | 4 | |
| 1049 | 40 | 37 | | | 508.2097179839999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OC | | InChI=1S/C29H32O8/c1-17-8-7-11-20(30)10-6-4-5-9-19-15-24-27(28(32)26(19)29(33)36-17)21(16-25(31)37-24)18-12-13-22(34-2)23(14-18)35-3/h5,9,12-15,17,21,32H,4,6-8,10-11,16H2,1-3H3/b9-5+ | 4 | |
| 1050 | 43 | 40 | | | 550.256668176 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC(C)C | | InChI=1S/C32H38O8/c1-19(2)38-26-16-21(14-15-25(26)36-4)24-18-28(34)40-27-17-22-11-7-6-8-12-23(33)13-9-10-20(3)39-32(35)29(22)31(37-5)30(24)27/h7,11,14-17,19-20,24H,6,8-10,12-13,18H2,1-5H3/b11-7+/t20-,24?/m0/s1 | 4 | |
| 1051 | 51 | 47 | | | 644.2257619719999 | COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)o2)c1 | | InChI=1S/C36H36O11/c1-20-9-8-12-25(37)11-7-5-6-10-21-18-29-32(33(42-2)31(21)36(41)45-20)26(19-30(38)47-29)28-14-13-27(46-28)22-15-23(34(39)43-3)17-24(16-22)35(40)44-4/h6,10,13-18,20,26H,5,7-9,11-12,19H2,1-4H3/b10-6+/t20-,26?/m0/s1 | 5 | |
| 1052 | 36 | 34 | | | 476.18105862399995 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3cccc(C(F)(F)F)c3)cc(O)c2C(=O)O1 | | InChI=1S/C26H27F3O5/c1-17-7-5-12-21(30)11-4-2-3-9-19-14-22(15-23(31)24(19)25(32)34-17)33-16-18-8-6-10-20(13-18)26(27,28)29/h3,6,8-10,13-15,17,31H,2,4-5,7,11-12,16H2,1H3/b9-3+/t17-/m0/s1 | 3 | |
| 1053 | 33 | 31 | | | 422.2093240599999 | Cc1ccccc1COc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C26H30O5/c1-18-9-6-7-12-21(18)17-30-23-15-20-11-4-3-5-13-22(27)14-8-10-19(2)31-26(29)25(20)24(28)16-23/h4,6-7,9,11-12,15-16,19,28H,3,5,8,10,13-14,17H2,1-2H3/b11-4+/t19-/m0/s1 | 3 | |
| 1054 | 40 | 37 | | | 506.1940679199999 | COC(=O)c1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C29H30O8/c1-17-7-6-10-21(30)9-5-3-4-8-20-15-23-26(27(32)25(20)29(34)36-17)22(16-24(31)37-23)18-11-13-19(14-12-18)28(33)35-2/h4,8,11-15,17,22,32H,3,5-7,9-10,16H2,1-2H3/b8-4+ | 4 | |
| 1055 | 41 | 38 | | | 522.225368048 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC | | InChI=1S/C30H34O8/c1-18-9-8-12-21(31)11-7-5-6-10-20-16-25-28(29(36-4)27(20)30(33)37-18)22(17-26(32)38-25)19-13-14-23(34-2)24(15-19)35-3/h6,10,13-16,18,22H,5,7-9,11-12,17H2,1-4H3/b10-6+/t18-,22?/m0/s1 | 4 | |
| 1056 | 40 | 36 | | | 492.17841785599984 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc2c(c1)OCO2)CC(=O)O3 | | InChI=1S/C28H28O8/c1-16-6-5-9-19(29)8-4-2-3-7-18-13-23-26(27(31)25(18)28(32)35-16)20(14-24(30)36-23)17-10-11-21-22(12-17)34-15-33-21/h3,7,10-13,16,20,31H,2,4-6,8-9,14-15H2,1H3/b7-3+ | 5 | |
| 1057 | 41 | 37 | | | 498.2042386799999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cccc2ccccc12)CC(=O)O3 | | InChI=1S/C31H30O6/c1-19-9-7-14-22(32)13-4-2-3-11-21-17-26-29(30(34)28(21)31(35)36-19)25(18-27(33)37-26)24-16-8-12-20-10-5-6-15-23(20)24/h3,5-6,8,10-12,15-17,19,25,34H,2,4,7,9,13-14,18H2,1H3/b11-3+ | 5 | |
| 1058 | 44 | 40 | | | 542.2304534279999 | COc1c2c(cc3c1C(c1ccc(OC)c4ccccc14)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C33H34O7/c1-20-10-9-13-22(34)12-6-4-5-11-21-18-28-31(32(38-3)30(21)33(36)39-20)26(19-29(35)40-28)24-16-17-27(37-2)25-15-8-7-14-23(24)25/h5,7-8,11,14-18,20,26H,4,6,9-10,12-13,19H2,1-3H3/b11-5+/t20-,26?/m0/s1 | 5 | |
| 1059 | 41 | 37 | | | 506.19406791999995 | COc1c2c(cc3c1C(c1ccc4c(c1)OCO4)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C29H30O8/c1-17-7-6-10-20(30)9-5-3-4-8-19-14-24-27(28(33-2)26(19)29(32)36-17)21(15-25(31)37-24)18-11-12-22-23(13-18)35-16-34-22/h4,8,11-14,17,21H,3,5-7,9-10,15-16H2,1-2H3/b8-4+/t17-,21?/m0/s1 | 5 | |
| 1060 | 44 | 41 | | | 562.256668176 | C=C(C)COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC | | InChI=1S/C33H38O8/c1-20(2)19-39-26-15-14-22(16-27(26)37-4)25-18-29(35)41-28-17-23-11-7-6-8-12-24(34)13-9-10-21(3)40-33(36)30(23)32(38-5)31(25)28/h7,11,14-17,21,25H,1,6,8-10,12-13,18-19H2,2-5H3/b11-7+/t21-,25?/m0/s1 | 4 | |
| 1061 | 40 | 37 | | | 504.251188872 | COc1c2c(cc3c1C(c1ccc(C(C)C)cc1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H36O6/c1-19(2)21-13-15-22(16-14-21)25-18-27(33)37-26-17-23-10-6-5-7-11-24(32)12-8-9-20(3)36-31(34)28(23)30(35-4)29(25)26/h6,10,13-17,19-20,25H,5,7-9,11-12,18H2,1-4H3/b10-6+/t20-,25?/m0/s1 | 4 | |
| 1062 | 40 | 37 | | | 506.2304534279999 | CC(C)Oc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C30H34O7/c1-18(2)35-23-14-12-20(13-15-23)24-17-26(32)37-25-16-21-9-5-4-6-10-22(31)11-7-8-19(3)36-30(34)27(21)29(33)28(24)25/h5,9,12-16,18-19,24,33H,4,6-8,10-11,17H2,1-3H3/b9-5+ | 4 | |
| 1063 | 40 | 37 | | | 506.2304534279999 | CC(C)Oc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C30H34O7/c1-18(2)35-23-14-8-11-20(15-23)24-17-26(32)37-25-16-21-10-5-4-6-12-22(31)13-7-9-19(3)36-30(34)27(21)29(33)28(24)25/h5,8,10-11,14-16,18-19,24,33H,4,6-7,9,12-13,17H2,1-3H3/b10-5+ | 4 | |
| 1064 | 41 | 38 | | | 520.2461034919999 | CC(C)COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C31H36O7/c1-19(2)18-36-24-14-8-11-21(15-24)25-17-27(33)38-26-16-22-10-5-4-6-12-23(32)13-7-9-20(3)37-31(35)28(22)30(34)29(25)26/h5,8,10-11,14-16,19-20,25,34H,4,6-7,9,12-13,17-18H2,1-3H3/b10-5+ | 4 | |
| 1065 | 41 | 38 | | | 522.225368048 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1 | | InChI=1S/C30H34O8/c1-18-9-8-12-20(31)11-7-5-6-10-19-15-25-28(29(36-4)27(19)30(33)37-18)23(17-26(32)38-25)22-14-13-21(34-2)16-24(22)35-3/h6,10,13-16,18,23H,5,7-9,11-12,17H2,1-4H3/b10-6+/t18-,23?/m0/s1 | 4 | |
| 1066 | 49 | 45 | | | 612.2723182399999 | COc1ccc(CCOc2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)cc2)cc1 | | InChI=1S/C37H40O8/c1-24-8-7-11-28(38)10-6-4-5-9-27-22-32-35(36(42-3)34(27)37(40)44-24)31(23-33(39)45-32)26-14-18-30(19-15-26)43-21-20-25-12-16-29(41-2)17-13-25/h5,9,12-19,22,24,31H,4,6-8,10-11,20-21,23H2,1-3H3/b9-5+/t24-,31?/m0/s1 | 5 | |
| 1067 | 46 | 41 | | | 555.2257023960001 | COc1c2c(cc3c1C(c1cc4cccc5c4n(c1=O)CC5)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C33H33NO7/c1-19-8-6-13-23(35)12-5-3-4-9-21-17-26-29(31(39-2)28(21)33(38)40-19)24(18-27(36)41-26)25-16-22-11-7-10-20-14-15-34(30(20)22)32(25)37/h4,7,9-11,16-17,19,24H,3,5-6,8,12-15,18H2,1-2H3/b9-4+/t19-,24?/m0/s1 | 6 | |
| 1068 | 35 | 32 | | | 438.16785317199987 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccco1)CC(=O)O3 | | InChI=1S/C25H26O7/c1-15-7-5-10-17(26)9-4-2-3-8-16-13-20-23(24(28)22(16)25(29)31-15)18(14-21(27)32-20)19-11-6-12-30-19/h3,6,8,11-13,15,18,28H,2,4-5,7,9-10,14H2,1H3/b8-3+ | 4 | |
| 1069 | 46 | 42 | | | 572.2046326039999 | COC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)o2)cc1 | | InChI=1S/C33H32O9/c1-19-7-6-10-23(34)9-5-3-4-8-22-17-27-30(31(36)29(22)33(38)40-19)24(18-28(35)42-27)26-16-15-25(41-26)20-11-13-21(14-12-20)32(37)39-2/h4,8,11-17,19,24,36H,3,5-7,9-10,18H2,1-2H3/b8-4+ | 5 | |
| 1070 | 42 | 38 | | | 516.214803364 | COc1c2c(cc3c1C(C1=Cc4ccccc4OC1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H32O7/c1-19-9-8-13-23(32)12-5-3-4-11-21-16-26-29(30(35-2)28(21)31(34)37-19)24(17-27(33)38-26)22-15-20-10-6-7-14-25(20)36-18-22/h4,6-7,10-11,14-16,19,24H,3,5,8-9,12-13,17-18H2,1-2H3/b11-4+/t19-,24?/m0/s1 | 5 | |
| 1071 | 43 | 40 | | | 550.256668176 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-26-15-21(13-14-25(26)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,19-20,24,35H,5,7-9,11-12,17-18H2,1-4H3/b10-6+ | 4 | |
| 1072 | 40 | 37 | | | 508.2097179839999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c(OC)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-19(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)22(16-25(31)37-24)21-13-12-20(34-2)15-23(21)35-3/h5,9,12-15,17,22,32H,4,6-8,10-11,16H2,1-3H3/b9-5+ | 4 | |
| 1073 | 42 | 39 | | | 536.2410181119999 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-30-22(14-9-15-24(30)36-4)23-17-26(33)39-25-16-20-11-6-5-7-12-21(32)13-8-10-19(3)38-31(35)27(20)29(34)28(23)25/h6,9,11,14-16,18-19,23,34H,5,7-8,10,12-13,17H2,1-4H3/b11-6+ | 4 | |
| 1074 | 37 | 34 | | | 462.20423868 | COc1c2c(cc3c1C(c1ccccc1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C28H30O6/c1-18-10-9-15-21(29)14-8-4-7-13-20-16-23-26(27(32-2)25(20)28(31)33-18)22(17-24(30)34-23)19-11-5-3-6-12-19/h3,5-7,11-13,16,18,22H,4,8-10,14-15,17H2,1-2H3/b13-7+/t18-,22?/m0/s1 | 4 | |
| 1075 | 42 | 39 | | | 538.220282668 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC | | InChI=1S/C30H34O9/c1-17-9-8-12-20(31)11-7-5-6-10-18-13-22-27(28(33)26(18)30(34)38-17)21(16-25(32)39-22)19-14-23(35-2)29(37-4)24(15-19)36-3/h6,10,13-15,17,21,33H,5,7-9,11-12,16H2,1-4H3/b10-6+ | 4 | |
| 1076 | 43 | 40 | | | 550.256668176 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1OC(C)C | | InChI=1S/C32H38O8/c1-19(2)38-25-15-14-21(16-26(25)36-4)24-18-28(34)40-27-17-22-11-7-6-8-12-23(33)13-9-10-20(3)39-32(35)29(22)31(37-5)30(24)27/h7,11,14-17,19-20,24H,6,8-10,12-13,18H2,1-5H3/b11-7+/t20-,24?/m0/s1 | 4 | |
| 1077 | 43 | 40 | | | 548.2410181119999 | C=C(C)COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OC | | InChI=1S/C32H36O8/c1-19(2)18-38-25-14-13-21(15-26(25)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,20,24,35H,1,5,7-9,11-12,17-18H2,2-4H3/b10-6+ | 4 | |
| 1078 | 38 | 35 | | | 494.1763096799999 | CSc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C28H30O6S/c1-17-7-6-10-20(29)9-5-3-4-8-19-15-23-26(27(31)25(19)28(32)33-17)22(16-24(30)34-23)18-11-13-21(35-2)14-12-18/h4,8,11-15,17,22,31H,3,5-7,9-10,16H2,1-2H3/b8-4+ | 4 | |
| 1079 | 38 | 35 | | | 478.1991532999999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C28H30O7/c1-17-7-6-10-20(29)9-5-3-4-8-19-15-23-26(27(31)25(19)28(32)34-17)22(16-24(30)35-23)18-11-13-21(33-2)14-12-18/h4,8,11-15,17,22,31H,3,5-7,9-10,16H2,1-2H3/b8-4+ | 4 | |
| 1080 | 43 | 40 | | | 551.2155316359999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)ccc1OCC(N)=O | | InChI=1S/C30H33NO9/c1-17-7-6-10-20(32)9-5-3-4-8-19-14-24-28(29(35)27(19)30(36)39-17)21(15-26(34)40-24)18-11-12-22(23(13-18)37-2)38-16-25(31)33/h4,8,11-14,17,21,35H,3,5-7,9-10,15-16H2,1-2H3,(H2,31,33)/b8-4+ | 4 | |
| 1081 | 39 | 36 | | | 490.2355388079999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(C(C)C)cc1)CC(=O)O3 | | InChI=1S/C30H34O6/c1-18(2)20-12-14-21(15-13-20)24-17-26(32)36-25-16-22-9-5-4-6-10-23(31)11-7-8-19(3)35-30(34)27(22)29(33)28(24)25/h5,9,12-16,18-19,24,33H,4,6-8,10-11,17H2,1-3H3/b9-5+ | 4 | |
| 1082 | 43 | 39 | | | 536.2046326039999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc2c1OCCO2 | | InChI=1S/C30H32O9/c1-17-7-6-10-20(31)9-5-3-4-8-18-13-22-27(28(33)26(18)30(34)38-17)21(16-25(32)39-22)19-14-23(35-2)29-24(15-19)36-11-12-37-29/h4,8,13-15,17,21,33H,3,5-7,9-12,16H2,1-2H3/b8-4+ | 5 | |
| 1083 | 42 | 39 | | | 536.2410181119999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-25-15-20(13-14-24(25)36-4)23-17-27(33)39-26-16-21-10-6-5-7-11-22(32)12-8-9-19(3)38-31(35)28(21)30(34)29(23)26/h6,10,13-16,18-19,23,34H,5,7-9,11-12,17H2,1-4H3/b10-6+ | 4 | |
| 1084 | 40 | 37 | | | 506.2304534279999 | CC(C)Oc1ccccc1C1CC(=O)Oc2cc3c(c(O)c21)C(=O)OC(C)CCCC(=O)CCC/C=C/3 | | InChI=1S/C30H34O7/c1-18(2)35-24-15-8-7-14-22(24)23-17-26(32)37-25-16-20-11-5-4-6-12-21(31)13-9-10-19(3)36-30(34)27(20)29(33)28(23)25/h5,7-8,11,14-16,18-19,23,33H,4,6,9-10,12-13,17H2,1-3H3/b11-5+ | 4 | |
| 1085 | 40 | 37 | | | 508.2097179839999 | COc1ccc(OC)c(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-19(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)22(16-25(31)37-24)21-15-20(34-2)12-13-23(21)35-3/h5,9,12-15,17,22,32H,4,6-8,10-11,16H2,1-3H3/b9-5+ | 4 | |
| 1086 | 39 | 36 | | | 494.1940679199999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)ccc1O | | InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-21(30)22(13-17)34-2/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3/b8-4+ | 4 | |
| 1087 | 41 | 38 | | | 524.2046326039999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc(OC)c1O | | InChI=1S/C29H32O9/c1-16-8-7-11-19(30)10-6-4-5-9-17-12-21-26(28(33)25(17)29(34)37-16)20(15-24(31)38-21)18-13-22(35-2)27(32)23(14-18)36-3/h5,9,12-14,16,20,32-33H,4,6-8,10-11,15H2,1-3H3/b9-5+ | 4 | |
| 1088 | 41 | 37 | | | 526.1394455039998 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc(Cl)c2c(c1)OCO2)CC(=O)O3 | | InChI=1S/C28H27ClO8/c1-15-6-5-9-18(30)8-4-2-3-7-16-11-21-25(26(32)24(16)28(33)36-15)19(13-23(31)37-21)17-10-20(29)27-22(12-17)34-14-35-27/h3,7,10-12,15,19,32H,2,4-6,8-9,13-14H2,1H3/b7-3+ | 5 | |
| 1089 | 42 | 39 | | | 536.2410181119999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)ccc1OC(C)C | | InChI=1S/C31H36O8/c1-18(2)37-24-14-13-20(15-25(24)36-4)23-17-27(33)39-26-16-21-10-6-5-7-11-22(32)12-8-9-19(3)38-31(35)28(21)30(34)29(23)26/h6,10,13-16,18-19,23,34H,5,7-9,11-12,17H2,1-4H3/b10-6+ | 4 | |
| 1090 | 44 | 41 | | | 566.2151972879999 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC(C)=O | | InChI=1S/C31H34O10/c1-17-9-8-12-21(33)11-7-5-6-10-19-13-23-28(29(35)27(19)31(36)39-17)22(16-26(34)41-23)20-14-24(37-3)30(40-18(2)32)25(15-20)38-4/h6,10,13-15,17,22,35H,5,7-9,11-12,16H2,1-4H3/b10-6+ | 4 | |
| 1091 | 38 | 35 | | | 478.1991532999999 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C28H30O7/c1-17-8-6-12-20(29)11-5-3-4-9-19-15-23-26(27(31)25(19)28(32)34-17)22(16-24(30)35-23)18-10-7-13-21(14-18)33-2/h4,7,9-10,13-15,17,22,31H,3,5-6,8,11-12,16H2,1-2H3/b9-4+ | 4 | |
| 1092 | 36 | 33 | | | 449.18383758399995 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cccnc1)CC(=O)O3 | | InChI=1S/C26H27NO6/c1-16-7-5-11-19(28)10-4-2-3-8-17-13-21-24(25(30)23(17)26(31)32-16)20(14-22(29)33-21)18-9-6-12-27-15-18/h3,6,8-9,12-13,15-16,20,30H,2,4-5,7,10-11,14H2,1H3/b8-3+ | 4 | |
| 1093 | 42 | 38 | | | 515.1944022679999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc2ccccc2nc1O)CC(=O)O3 | | InChI=1S/C30H29NO7/c1-17-8-7-12-20(32)11-4-2-3-10-19-15-24-27(28(34)26(19)30(36)37-17)21(16-25(33)38-24)22-14-18-9-5-6-13-23(18)31-29(22)35/h3,5-6,9-10,13-15,17,21,34H,2,4,7-8,11-12,16H2,1H3,(H,31,35)/b10-3+ | 5 | |
| 1094 | 42 | 38 | | | 514.1991532999999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(-c2ccccc2)o1)CC(=O)O3 | | InChI=1S/C31H30O7/c1-19-9-8-14-22(32)13-7-3-6-12-21-17-26-29(30(34)28(21)31(35)36-19)23(18-27(33)38-26)25-16-15-24(37-25)20-10-4-2-5-11-20/h2,4-6,10-12,15-17,19,23,34H,3,7-9,13-14,18H2,1H3/b12-6+ | 5 | |
| 1095 | 41 | 37 | | | 502.19915329999986 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(C1=Cc2ccccc2OC1)CC(=O)O3 | | InChI=1S/C30H30O7/c1-18-8-7-12-22(31)11-4-2-3-10-20-15-25-28(29(33)27(20)30(34)36-18)23(16-26(32)37-25)21-14-19-9-5-6-13-24(19)35-17-21/h3,5-6,9-10,13-15,18,23,33H,2,4,7-8,11-12,16-17H2,1H3/b10-3+ | 5 | |
| 1096 | 44 | 40 | | | 543.225702396 | COc1c2c(cc3c1C(c1cc4ccccc4n(C)c1=O)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C32H33NO7/c1-19-10-9-14-22(34)13-6-4-5-12-21-17-26-29(30(38-3)28(21)32(37)39-19)23(18-27(35)40-26)24-16-20-11-7-8-15-25(20)33(2)31(24)36/h5,7-8,11-12,15-17,19,23H,4,6,9-10,13-14,18H2,1-3H3/b12-5+/t19-,23?/m0/s1 | 5 | |
| 1097 | 41 | 37 | | | 499.19948764799994 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc2ncccc2c1)CC(=O)O3 | | InChI=1S/C30H29NO6/c1-18-7-5-11-22(32)10-4-2-3-8-21-16-25-28(29(34)27(21)30(35)36-18)23(17-26(33)37-25)19-12-13-24-20(15-19)9-6-14-31-24/h3,6,8-9,12-16,18,23,34H,2,4-5,7,10-11,17H2,1H3/b8-3+ | 5 | |
| 1098 | 36 | 33 | | | 452.183503236 | COc1c2c(cc3c1C(c1ccco1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C26H28O7/c1-16-8-6-11-18(27)10-5-3-4-9-17-14-21-24(25(30-2)23(17)26(29)32-16)19(15-22(28)33-21)20-12-7-13-31-20/h4,7,9,12-14,16,19H,3,5-6,8,10-11,15H2,1-2H3/b9-4+/t16-,19?/m0/s1 | 4 | |
| 1099 | 40 | 37 | | | 508.2097179839999 | COc1cc(OC)cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C29H32O8/c1-17-8-7-11-20(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)23(16-25(31)37-24)19-12-21(34-2)15-22(13-19)35-3/h5,9,12-15,17,23,32H,4,6-8,10-11,16H2,1-3H3/b9-5+ | 4 | |
| 1100 | 45 | 41 | | | 559.2206170159999 | COc1ccc2cc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)c(=O)n(C)c2c1 | | InChI=1S/C32H33NO8/c1-18-8-7-11-21(34)10-6-4-5-9-20-15-26-29(30(36)28(20)32(38)40-18)23(17-27(35)41-26)24-14-19-12-13-22(39-3)16-25(19)33(2)31(24)37/h5,9,12-16,18,23,36H,4,6-8,10-11,17H2,1-3H3/b9-5+ | 5 | |
| 1101 | 43 | 39 | | | 529.2100523319999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc2ccccc2n(C)c1=O)CC(=O)O3 | | InChI=1S/C31H31NO7/c1-18-9-8-13-21(33)12-5-3-4-11-20-16-25-28(29(35)27(20)31(37)38-18)22(17-26(34)39-25)23-15-19-10-6-7-14-24(19)32(2)30(23)36/h4,6-7,10-11,14-16,18,22,35H,3,5,8-9,12-13,17H2,1-2H3/b11-4+ | 5 | |
| 1102 | 43 | 39 | | | 528.214803364 | COc1c2c(cc3c1C(c1ccc(-c4ccccc4)o1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C32H32O7/c1-20-10-9-15-23(33)14-8-4-7-13-22-18-27-30(31(36-2)29(22)32(35)37-20)24(19-28(34)39-27)26-17-16-25(38-26)21-11-5-3-6-12-21/h3,5-7,11-13,16-18,20,24H,4,8-10,14-15,19H2,1-2H3/b13-7+/t20-,24?/m0/s1 | 5 | |
| 1103 | 48 | 44 | | | 598.256668176 | COc1ccc(CCOc2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)cc2)cc1 | | InChI=1S/C36H38O8/c1-23-7-6-10-27(37)9-5-3-4-8-26-21-31-34(35(39)33(26)36(40)43-23)30(22-32(38)44-31)25-13-17-29(18-14-25)42-20-19-24-11-15-28(41-2)16-12-24/h4,8,11-18,21,23,30,39H,3,5-7,9-10,19-20,22H2,1-2H3/b8-4+ | 5 | |
| 1104 | 50 | 46 | | | 630.2101119079999 | COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)o2)c1 | | InChI=1S/C35H34O11/c1-19-8-7-11-24(36)10-6-4-5-9-20-17-28-31(32(38)30(20)35(41)44-19)25(18-29(37)46-28)27-13-12-26(45-27)21-14-22(33(39)42-2)16-23(15-21)34(40)43-3/h5,9,12-17,19,25,38H,4,6-8,10-11,18H2,1-3H3/b9-5+ | 5 | |
| 1105 | 47 | 42 | | | 569.24135246 | COc1c2c(cc3c1C(c1cc4cccc5c4n(c1=O)CCC5)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C34H35NO7/c1-20-9-6-15-24(36)14-5-3-4-10-22-18-27-30(32(40-2)29(22)34(39)41-20)25(19-28(37)42-27)26-17-23-12-7-11-21-13-8-16-35(31(21)23)33(26)38/h4,7,10-12,17-18,20,25H,3,5-6,8-9,13-16,19H2,1-2H3/b10-4+/t20-,25?/m0/s1 | 6 | |
| 1106 | 43 | 40 | | | 551.2155316359999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1OCC(N)=O | | InChI=1S/C30H33NO9/c1-17-7-6-10-20(32)9-5-3-4-8-19-14-24-28(29(35)27(19)30(36)39-17)21(15-26(34)40-24)18-11-12-22(37-2)23(13-18)38-16-25(31)33/h4,8,11-14,17,21,35H,3,5-7,9-10,15-16H2,1-2H3,(H2,31,33)/b8-4+ | 4 | |
| 1107 | 40 | 37 | | | 503.23078777599994 | Cc1c(C(=O)COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c2ccccc2n1C | | InChI=1S/C30H33NO6/c1-19-10-9-13-22(32)12-6-4-5-11-21-16-23(17-26(33)29(21)30(35)37-19)36-18-27(34)28-20(2)31(3)25-15-8-7-14-24(25)28/h5,7-8,11,14-17,19,33H,4,6,9-10,12-13,18H2,1-3H3/b11-5+/t19-/m0/s1 | 4 | |
| 1108 | 46 | 42 | | | 573.2362670799998 | COc1ccc2cc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)c(=O)n(C)c2c1 | | InChI=1S/C33H35NO8/c1-19-9-8-12-22(35)11-7-5-6-10-21-16-27-30(31(40-4)29(21)33(38)41-19)24(18-28(36)42-27)25-15-20-13-14-23(39-3)17-26(20)34(2)32(25)37/h6,10,13-17,19,24H,5,7-9,11-12,18H2,1-4H3/b10-6+/t19-,24?/m0/s1 | 5 | |
| 1109 | 33 | 31 | | | 422.2093240599999 | Cc1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)cc1 | | InChI=1S/C26H30O5/c1-18-11-13-20(14-12-18)17-30-23-15-21-8-4-3-5-9-22(27)10-6-7-19(2)31-26(29)25(21)24(28)16-23/h4,8,11-16,19,28H,3,5-7,9-10,17H2,1-2H3/b8-4+/t19-/m0/s1 | 3 | |
| 1110 | 41 | 38 | | | 521.2049669519998 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(OCC(N)=O)cc1)CC(=O)O3 | | InChI=1S/C29H31NO8/c1-17-6-5-9-20(31)8-4-2-3-7-19-14-23-27(28(34)26(19)29(35)37-17)22(15-25(33)38-23)18-10-12-21(13-11-18)36-16-24(30)32/h3,7,10-14,17,22,34H,2,4-6,8-9,15-16H2,1H3,(H2,30,32)/b7-3+ | 4 | |
| 1111 | 35 | 33 | | | 451.27225866400005 | COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(NCCc1ccccc1)CCC/C=C/2 | | InChI=1S/C28H37NO4/c1-21-11-10-16-24(29-18-17-22-12-6-4-7-13-22)15-9-5-8-14-23-19-25(31-2)20-26(32-3)27(23)28(30)33-21/h4,6-8,12-14,19-21,24,29H,5,9-11,15-18H2,1-3H3/b14-8+/t21-,24?/m0/s1 | 3 | |
| 1112 | 34 | 32 | | | 504.0947642519999 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Br)cc3F)cc(O)c2C(=O)O1 | | InChI=1S/C25H26BrFO5/c1-16-6-5-9-20(28)8-4-2-3-7-17-12-21(14-23(29)24(17)25(30)32-16)31-15-18-10-11-19(26)13-22(18)27/h3,7,10-14,16,29H,2,4-6,8-9,15H2,1H3/b7-3+/t16-/m1/s1 | 3 | |
| 1113 | 39 | 36 | | | 492.2148033639999 | COc1ccccc1C1CC(=O)Oc2cc3c(c(OC)c21)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3 | | InChI=1S/C29H32O7/c1-18-10-9-13-20(30)12-6-4-5-11-19-16-24-27(28(34-3)26(19)29(32)35-18)22(17-25(31)36-24)21-14-7-8-15-23(21)33-2/h5,7-8,11,14-16,18,22H,4,6,9-10,12-13,17H2,1-3H3/b11-5+/t18-,22?/m0/s1 | 4 | |
| 1114 | 33 | 31 | | | 486.1041860639999 | C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Br)cc3)cc(O)c2C(=O)O1 | | InChI=1S/C25H27BrO5/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-10-12-20(26)13-11-18/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/b7-3+/t17-/m1/s1 | 3 | |
| 1115 | 43 | 39 | | | 528.2148033639999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c2ccccc12 | | InChI=1S/C32H32O7/c1-19-9-8-12-21(33)11-5-3-4-10-20-17-27-30(31(35)29(20)32(36)38-19)25(18-28(34)39-27)23-15-16-26(37-2)24-14-7-6-13-22(23)24/h4,6-7,10,13-17,19,25,35H,3,5,8-9,11-12,18H2,1-2H3/b10-4+ | 5 | |
| 1116 | 39 | 36 | | | 494.1940679199999 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1O | | InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-22(34-2)21(30)13-17/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3/b8-4+ | 4 | |
| 1117 | 43 | 40 | | | 552.2359327319999 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC | | InChI=1S/C31H36O9/c1-18-10-9-13-21(32)12-8-6-7-11-19-14-23-28(30(38-5)27(19)31(34)39-18)22(17-26(33)40-23)20-15-24(35-2)29(37-4)25(16-20)36-3/h7,11,14-16,18,22H,6,8-10,12-13,17H2,1-5H3/b11-7+/t18-,22?/m0/s1 | 4 | |
| 1118 | 37 | 34 | | | 464.18350323599986 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cccc(O)c1)CC(=O)O3 | | InChI=1S/C27H28O7/c1-16-7-5-11-19(28)10-4-2-3-8-18-14-22-25(26(31)24(18)27(32)33-16)21(15-23(30)34-22)17-9-6-12-20(29)13-17/h3,6,8-9,12-14,16,21,29,31H,2,4-5,7,10-11,15H2,1H3/b8-3+ | 4 | |
| 1119 | 42 | 38 | | | 520.209717984 | COc1c2c(cc3c1C(c1ccc4c(c1)OCCO4)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C30H32O8/c1-18-7-6-10-21(31)9-5-3-4-8-20-16-25-28(29(34-2)27(20)30(33)37-18)22(17-26(32)38-25)19-11-12-23-24(15-19)36-14-13-35-23/h4,8,11-12,15-16,18,22H,3,5-7,9-10,13-14,17H2,1-2H3/b8-4+/t18-,22?/m0/s1 | 5 | |
| 1120 | 41 | 38 | | | 520.246103492 | COc1c2c(cc3c1C(c1ccc(OC(C)C)cc1)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C31H36O7/c1-19(2)36-24-15-13-21(14-16-24)25-18-27(33)38-26-17-22-10-6-5-7-11-23(32)12-8-9-20(3)37-31(34)28(22)30(35-4)29(25)26/h6,10,13-17,19-20,25H,5,7-9,11-12,18H2,1-4H3/b10-6+/t20-,25?/m0/s1 | 4 | |
| 1121 | 35 | 32 | | | 454.14500955199986 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccsc1)CC(=O)O3 | | InChI=1S/C25H26O6S/c1-15-6-5-9-18(26)8-4-2-3-7-16-12-20-23(24(28)22(16)25(29)30-15)19(13-21(27)31-20)17-10-11-32-14-17/h3,7,10-12,14-15,19,28H,2,4-6,8-9,13H2,1H3/b7-3+ | 4 | |
| 1122 | 39 | 36 | | | 492.2148033639999 | COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C29H32O7/c1-18-8-7-11-21(30)10-6-4-5-9-20-16-24-27(28(34-3)26(20)29(32)35-18)23(17-25(31)36-24)19-12-14-22(33-2)15-13-19/h5,9,12-16,18,23H,4,6-8,10-11,17H2,1-3H3/b9-5+/t18-,23?/m0/s1 | 4 | |
| 1123 | 43 | 40 | | | 550.256668176 | COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)ccc1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-25-14-13-21(15-26(25)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,19-20,24,35H,5,7-9,11-12,17-18H2,1-4H3/b10-6+ | 4 | |
| 1124 | 41 | 38 | | | 520.2097179839999 | COC(=O)c1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C30H32O8/c1-18-8-7-11-22(31)10-6-4-5-9-21-16-24-27(28(35-2)26(21)30(34)37-18)23(17-25(32)38-24)19-12-14-20(15-13-19)29(33)36-3/h5,9,12-16,18,23H,4,6-8,10-11,17H2,1-3H3/b9-5+/t18-,23?/m0/s1 | 4 | |
| 1125 | 41 | 37 | | | 506.19406791999984 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc2c(c1)OCCO2)CC(=O)O3 | | InChI=1S/C29H30O8/c1-17-6-5-9-20(30)8-4-2-3-7-19-15-24-27(28(32)26(19)29(33)36-17)21(16-25(31)37-24)18-10-11-22-23(14-18)35-13-12-34-22/h3,7,10-11,14-15,17,21,32H,2,4-6,8-9,12-13,16H2,1H3/b7-3+ | 5 | |
| 1126 | 42 | 39 | | | 538.220282668 | COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c(OC)c1OC | | InChI=1S/C30H34O9/c1-17-9-8-12-19(31)11-7-5-6-10-18-15-23-26(27(33)25(18)30(34)38-17)21(16-24(32)39-23)20-13-14-22(35-2)29(37-4)28(20)36-3/h6,10,13-15,17,21,33H,5,7-9,11-12,16H2,1-4H3/b10-6+ | 4 | |
| 1127 | 41 | 38 | | | 520.2461034919999 | CC(C)COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)cc1 | | InChI=1S/C31H36O7/c1-19(2)18-36-24-14-12-21(13-15-24)25-17-27(33)38-26-16-22-9-5-4-6-10-23(32)11-7-8-20(3)37-31(35)28(22)30(34)29(25)26/h5,9,12-16,19-20,25,34H,4,6-8,10-11,17-18H2,1-3H3/b9-5+ | 4 | |
| 1128 | 37 | 34 | | | 464.18350323599986 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(O)cc1)CC(=O)O3 | | InChI=1S/C27H28O7/c1-16-6-5-9-19(28)8-4-2-3-7-18-14-22-25(26(31)24(18)27(32)33-16)21(15-23(30)34-22)17-10-12-20(29)13-11-17/h3,7,10-14,16,21,29,31H,2,4-6,8-9,15H2,1H3/b7-3+ | 4 | |
| 1129 | 45 | 41 | | | 556.2097179839999 | CC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCC/C=C/5)o2)cc1 | | InChI=1S/C33H32O8/c1-19-7-6-10-24(35)9-5-3-4-8-23-17-28-31(32(37)30(23)33(38)39-19)25(18-29(36)41-28)27-16-15-26(40-27)22-13-11-21(12-14-22)20(2)34/h4,8,11-17,19,25,37H,3,5-7,9-10,18H2,1-2H3/b8-4+ | 5 | |
| 1130 | 46 | 41 | | | 555.225702396 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc2cccc4c2n(c1=O)CCC4)CC(=O)O3 | | InChI=1S/C33H33NO7/c1-19-8-5-14-23(35)13-4-2-3-9-21-17-26-29(31(37)28(21)33(39)40-19)24(18-27(36)41-26)25-16-22-11-6-10-20-12-7-15-34(30(20)22)32(25)38/h3,6,9-11,16-17,19,24,37H,2,4-5,7-8,12-15,18H2,1H3/b9-3+ | 6 | |
| 1131 | 43 | 40 | | | 550.256668176 | COc1cccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCC/C=C/4)c1OCC(C)C | | InChI=1S/C32H38O8/c1-19(2)18-38-31-23(14-9-15-25(31)37-4)24-17-27(34)40-26-16-21-11-6-5-7-12-22(33)13-8-10-20(3)39-32(36)28(21)30(35)29(24)26/h6,9,11,14-16,19-20,24,35H,5,7-8,10,12-13,17-18H2,1-4H3/b11-6+ | 4 | |
| 1132 | 41 | 38 | | | 522.1889825399999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccccc1OCC(=O)O)CC(=O)O3 | | InChI=1S/C29H30O9/c1-17-8-7-11-19(30)10-4-2-3-9-18-14-23-27(28(34)26(18)29(35)37-17)21(15-25(33)38-23)20-12-5-6-13-22(20)36-16-24(31)32/h3,5-6,9,12-14,17,21,34H,2,4,7-8,10-11,15-16H2,1H3,(H,31,32)/b9-3+ | 4 | |
| 1133 | 41 | 38 | | | 522.225368048 | COc1cc(OC)cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 | | InChI=1S/C30H34O8/c1-18-9-8-12-21(31)11-7-5-6-10-19-15-25-28(29(36-4)27(19)30(33)37-18)24(17-26(32)38-25)20-13-22(34-2)16-23(14-20)35-3/h6,10,13-16,18,24H,5,7-9,11-12,17H2,1-4H3/b10-6+/t18-,24?/m0/s1 | 4 | |
| 1134 | 48 | 44 | | | 599.2883026520001 | COc1c2c(cc3c1C(c1cc4cc(C)ccc4n(CC(C)C)c1=O)CC(=O)O3)/C=C/CCCC(=O)CCC[C@H](C)OC2=O | | InChI=1S/C36H41NO7/c1-21(2)20-37-29-15-14-22(3)16-25(29)17-28(35(37)40)27-19-31(39)44-30-18-24-11-7-6-8-12-26(38)13-9-10-23(4)43-36(41)32(24)34(42-5)33(27)30/h7,11,14-18,21,23,27H,6,8-10,12-13,19-20H2,1-5H3/b11-7+/t23-,27?/m0/s1 | 5 | |
| 1135 | 45 | 40 | | | 541.2100523319999 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1cc2cccc4c2n(c1=O)CC4)CC(=O)O3 | | InChI=1S/C32H31NO7/c1-18-7-5-12-22(34)11-4-2-3-8-20-16-25-28(30(36)27(20)32(38)39-18)23(17-26(35)40-25)24-15-21-10-6-9-19-13-14-33(29(19)21)31(24)37/h3,6,8-10,15-16,18,23,36H,2,4-5,7,11-14,17H2,1H3/b8-3+ | 6 | |
| 1136 | 39 | 36 | | | 492.17841785599984 | CC1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)C(c1ccc(C(=O)O)cc1)CC(=O)O3 | | InChI=1S/C28H28O8/c1-16-6-5-9-20(29)8-4-2-3-7-19-14-22-25(26(31)24(19)28(34)35-16)21(15-23(30)36-22)17-10-12-18(13-11-17)27(32)33/h3,7,10-14,16,21,31H,2,4-6,8-9,15H2,1H3,(H,32,33)/b7-3+ | 4 | |
| 1137 | 44 | 40 | | | 550.220282668 | COc1cc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc2c1OCCO2 | | InChI=1S/C31H34O9/c1-18-8-7-11-21(32)10-6-4-5-9-19-14-23-28(30(36-3)27(19)31(34)39-18)22(17-26(33)40-23)20-15-24(35-2)29-25(16-20)37-12-13-38-29/h5,9,14-16,18,22H,4,6-8,10-13,17H2,1-3H3/b9-5+/t18-,22?/m0/s1 | 5 | |
| 1138 | 47 | 43 | | | 586.220282668 | COC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)o2)cc1 | | InChI=1S/C34H34O9/c1-20-8-7-11-24(35)10-6-4-5-9-23-18-28-31(32(39-2)30(23)34(38)41-20)25(19-29(36)43-28)27-17-16-26(42-27)21-12-14-22(15-13-21)33(37)40-3/h5,9,12-18,20,25H,4,6-8,10-11,19H2,1-3H3/b9-5+/t20-,25?/m0/s1 | 5 | |
| 1139 | 48 | 45 | | | 615.283217272 | COc1ccc(CNC(=O)CC(c2ccc(OC)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO8/c1-23-8-7-11-27(38)10-6-4-5-9-26-20-31(39)34(35(41)33(26)36(42)45-23)30(25-14-18-29(44-3)19-15-25)21-32(40)37-22-24-12-16-28(43-2)17-13-24/h5,9,12-20,23,30,39,41H,4,6-8,10-11,21-22H2,1-3H3,(H,37,40)/b9-5+/t23-,30?/m0/s1 | 4 | |
| 1140 | 54 | 51 | | | 708.3006582280001 | COc1cc(C(CC(=O)NCC(=O)NCc2nc(C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H44N4O11/c1-20-10-9-13-24(41)12-8-6-7-11-22-14-26(42)33(34(45)32(22)36(46)50-20)25(23-15-27(47-3)35(49-5)28(16-23)48-4)17-29(43)37-18-30(44)38-19-31-39-21(2)40-51-31/h7,11,14-16,20,25,42,45H,6,8-10,12-13,17-19H2,1-5H3,(H,37,43)(H,38,44)/b11-7+/t20-,25?/m0/s1 | 4 | |
| 1141 | 57 | 53 | | | 728.3308957360001 | COc1cc(C(CC(=O)NCC(=O)N2CCCc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N2O10/c1-25-12-10-17-29(44)16-7-5-6-14-27-20-32(45)38(39(48)37(27)41(49)53-25)30(28-21-33(50-2)40(52-4)34(22-28)51-3)23-35(46)42-24-36(47)43-19-11-15-26-13-8-9-18-31(26)43/h6,8-9,13-14,18,20-22,25,30,45,48H,5,7,10-12,15-17,19,23-24H2,1-4H3,(H,42,46)/b14-6+/t25-,30?/m0/s1 | 5 | |
| 1142 | 50 | 48 | | | 668.3308957359999 | CC[C@H](C)[C@H](NC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(N)=O | | InChI=1S/C36H48N2O10/c1-7-20(2)32(35(37)43)38-29(41)19-25(23-17-27(45-4)34(47-6)28(18-23)46-5)31-26(40)16-22-13-9-8-10-14-24(39)15-11-12-21(3)48-36(44)30(22)33(31)42/h9,13,16-18,20-21,25,32,40,42H,7-8,10-12,14-15,19H2,1-6H3,(H2,37,43)(H,38,41)/b13-9+/t20-,21-,25?,32-/m0/s1 | 3 | |
| 1143 | 53 | 49 | | | 667.2893652719999 | COc1ccc(C(CC(=O)NCCn2cnc3ccccc3c2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H41N3O8/c1-24-9-8-12-27(42)11-5-3-4-10-26-21-32(43)35(36(45)34(26)38(47)49-24)30(25-15-17-28(48-2)18-16-25)22-33(44)39-19-20-41-23-40-31-14-7-6-13-29(31)37(41)46/h4,6-7,10,13-18,21,23-24,30,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)/b10-4+/t24-,30?/m0/s1 | 5 | |
| 1144 | 50 | 47 | | | 649.299929956 | COc1cc(C(CC(=O)NCc2c[nH]nc2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H43N3O9/c1-20-10-9-13-25(39)12-8-6-7-11-22-14-27(40)32(33(42)31(22)35(43)47-20)26(17-30(41)36-18-24-19-37-38-21(24)2)23-15-28(44-3)34(46-5)29(16-23)45-4/h7,11,14-16,19-20,26,40,42H,6,8-10,12-13,17-18H2,1-5H3,(H,36,41)(H,37,38)/b11-7+/t20-,26?/m0/s1 | 4 | |
| 1145 | 47 | 44 | | | 603.283217272 | COc1ccc(C(CC(=O)NCCCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H41NO8/c1-23-9-6-12-26(37)11-5-3-4-10-25-21-30(38)33(34(40)32(25)35(41)44-23)29(24-15-17-27(42-2)18-16-24)22-31(39)36-19-7-13-28-14-8-20-43-28/h4,8,10,14-18,20-21,23,29,38,40H,3,5-7,9,11-13,19,22H2,1-2H3,(H,36,39)/b10-4+/t23-,29?/m0/s1 | 4 | |
| 1146 | 54 | 51 | | | 702.3152456720001 | COc1ccc(C(CC(=O)NCCC(=O)Nc2ccc(OC)cc2OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H46N2O10/c1-24-9-8-12-27(42)11-7-5-6-10-26-21-32(43)37(38(46)36(26)39(47)51-24)30(25-13-15-28(48-2)16-14-25)23-35(45)40-20-19-34(44)41-31-18-17-29(49-3)22-33(31)50-4/h6,10,13-18,21-22,24,30,43,46H,5,7-9,11-12,19-20,23H2,1-4H3,(H,40,45)(H,41,44)/b10-6+/t24-,30?/m0/s1 | 4 | |
| 1147 | 60 | 56 | | | 771.3730948960001 | COc1cc(C(CC(=O)NCCC(=O)N2CCCCC2c2cccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H53N3O10/c1-27-12-10-16-31(47)15-7-5-6-13-28-22-34(48)40(41(51)39(28)43(52)56-27)32(30-23-35(53-2)42(55-4)36(24-30)54-3)25-37(49)45-20-18-38(50)46-21-9-8-17-33(46)29-14-11-19-44-26-29/h6,11,13-14,19,22-24,26-27,32-33,48,51H,5,7-10,12,15-18,20-21,25H2,1-4H3,(H,45,49)/b13-6+/t27-,32?,33?/m0/s1 | 5 | |
| 1148 | 52 | 49 | | | 695.2512655120001 | COc1cc(C(CC(=O)NCC(=O)Nc2nccs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H41N3O10S/c1-20-9-8-12-23(39)11-7-5-6-10-21-15-25(40)31(32(43)30(21)34(44)48-20)24(22-16-26(45-2)33(47-4)27(17-22)46-3)18-28(41)37-19-29(42)38-35-36-13-14-49-35/h6,10,13-17,20,24,40,43H,5,7-9,11-12,18-19H2,1-4H3,(H,37,41)(H,36,38,42)/b10-6+/t20-,24?/m0/s1 | 4 | |
| 1149 | 53 | 50 | | | 691.29926126 | COc1cc(C(CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO11/c1-22-9-8-12-26(40)11-7-5-6-10-24-18-30(43)35(36(45)34(24)38(46)50-22)27(25-19-31(47-2)37(49-4)32(20-25)48-3)21-33(44)39-16-15-23-13-14-28(41)29(42)17-23/h6,10,13-14,17-20,22,27,41-43,45H,5,7-9,11-12,15-16,21H2,1-4H3,(H,39,44)/b10-6+/t22-,27?/m0/s1 | 4 | |
| 1150 | 55 | 51 | | | 699.3155800200001 | COc1cc(C(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-22-12-11-15-26(43)14-8-6-7-13-24-18-30(44)35(36(46)34(24)39(47)51-22)27(25-19-31(48-3)37(50-5)32(20-25)49-4)21-33(45)40-23(2)38-41-28-16-9-10-17-29(28)42-38/h7,9-10,13,16-20,22-23,27,44,46H,6,8,11-12,14-15,21H2,1-5H3,(H,40,45)(H,41,42)/b13-7+/t22-,23-,27?/m0/s1 | 5 | |
| 1151 | 46 | 43 | | | 606.239972556 | COc1ccc(C(CC(=O)NCc2csc(C)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H38N2O7S/c1-20-8-7-11-25(36)10-6-4-5-9-23-16-28(37)31(32(39)30(23)33(40)42-20)27(22-12-14-26(41-3)15-13-22)17-29(38)34-18-24-19-43-21(2)35-24/h5,9,12-16,19-20,27,37,39H,4,6-8,10-11,17-18H2,1-3H3,(H,34,38)/b9-5+/t20-,27?/m0/s1 | 4 | |
| 1152 | 48 | 46 | | | 662.250931164 | COc1cc(C(CC(=O)NCCS(N)(=O)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C32H42N2O11S/c1-19-9-8-12-22(35)11-7-5-6-10-20-15-24(36)29(30(38)28(20)32(39)45-19)23(18-27(37)34-13-14-46(33,40)41)21-16-25(42-2)31(44-4)26(17-21)43-3/h6,10,15-17,19,23,36,38H,5,7-9,11-14,18H2,1-4H3,(H,34,37)(H2,33,40,41)/b10-6+/t19-,23?/m0/s1 | 3 | |
| 1153 | 48 | 46 | | | 640.299595608 | COc1cc(C(CC(=O)NCCNC(C)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H44N2O10/c1-20-10-9-13-24(38)12-8-6-7-11-22-16-26(39)31(32(41)30(22)34(42)46-20)25(19-29(40)36-15-14-35-21(2)37)23-17-27(43-3)33(45-5)28(18-23)44-4/h7,11,16-18,20,25,39,41H,6,8-10,12-15,19H2,1-5H3,(H,35,37)(H,36,40)/b11-7+/t20-,25?/m0/s1 | 3 | |
| 1154 | 55 | 52 | | | 719.330561388 | COc1ccc(CCNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1OC | | InChI=1S/C40H49NO11/c1-24-11-10-14-28(42)13-9-7-8-12-26-20-30(43)37(38(45)36(26)40(46)52-24)29(27-21-33(49-4)39(51-6)34(22-27)50-5)23-35(44)41-18-17-25-15-16-31(47-2)32(19-25)48-3/h8,12,15-16,19-22,24,29,43,45H,7,9-11,13-14,17-18,23H2,1-6H3,(H,41,44)/b12-8+/t24-,29?/m0/s1 | 4 | |
| 1155 | 56 | 52 | | | 720.300658228 | COc1cc(C(CC(=O)NCc2noc(C3CCC(=O)N3)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H44N4O11/c1-20-9-8-12-23(42)11-7-5-6-10-21-15-26(43)33(34(46)32(21)37(47)51-20)24(22-16-27(48-2)35(50-4)28(17-22)49-3)18-31(45)38-19-29-40-36(52-41-29)25-13-14-30(44)39-25/h6,10,15-17,20,24-25,43,46H,5,7-9,11-14,18-19H2,1-4H3,(H,38,45)(H,39,44)/b10-6+/t20-,24?,25?/m0/s1 | 5 | |
| 1156 | 50 | 46 | | | 624.28355162 | COc1ccc(C(CC(=O)NCc2cccc3[nH]ccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H40N2O7/c1-23-8-6-12-27(40)11-5-3-4-9-25-20-32(41)35(36(43)34(25)37(44)46-23)30(24-14-16-28(45-2)17-15-24)21-33(42)39-22-26-10-7-13-31-29(26)18-19-38-31/h4,7,9-10,13-20,23,30,38,41,43H,3,5-6,8,11-12,21-22H2,1-2H3,(H,39,42)/b9-4+/t23-,30?/m0/s1 | 5 | |
| 1157 | 50 | 47 | | | 666.2611019240001 | COc1cc(C(CC(=O)NCc2csc(C)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H42N2O9S/c1-20-10-9-13-25(38)12-8-6-7-11-22-14-27(39)32(33(41)31(22)35(42)46-20)26(17-30(40)36-18-24-19-47-21(2)37-24)23-15-28(43-3)34(45-5)29(16-23)44-4/h7,11,14-16,19-20,26,39,41H,6,8-10,12-13,17-18H2,1-5H3,(H,36,40)/b11-7+/t20-,26?/m0/s1 | 4 | |
| 1158 | 55 | 51 | | | 700.3108289880001 | COc1cc(C(CC(=O)NCCc2nnc3ccccn23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H44N4O9/c1-23-11-10-14-26(43)13-7-5-6-12-24-19-28(44)35(36(46)34(24)38(47)51-23)27(25-20-29(48-2)37(50-4)30(21-25)49-3)22-33(45)39-17-16-32-41-40-31-15-8-9-18-42(31)32/h6,8-9,12,15,18-21,23,27,44,46H,5,7,10-11,13-14,16-17,22H2,1-4H3,(H,39,45)/b12-6+/t23-,27?/m0/s1 | 5 | |
| 1159 | 54 | 52 | | | 719.47610342 | CCCCCCCCCCCCCCCCNC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C44H65NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-45-40(48)32-38(34-26-28-37(51-3)29-27-34)42-39(47)31-35-23-18-17-19-24-36(46)25-21-22-33(2)52-44(50)41(35)43(42)49/h18,23,26-29,31,33,38,47,49H,4-17,19-22,24-25,30,32H2,1-3H3,(H,45,48)/b23-18+/t33-,38?/m0/s1 | 3 | |
| 1160 | 46 | 43 | | | 586.267901556 | COc1ccc(C(CC(=O)NCc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H38N2O7/c1-22-9-8-13-26(37)12-5-3-4-10-24-19-29(38)32(33(40)31(24)34(41)43-22)28(23-14-16-27(42-2)17-15-23)20-30(39)36-21-25-11-6-7-18-35-25/h4,6-7,10-11,14-19,22,28,38,40H,3,5,8-9,12-13,20-21H2,1-2H3,(H,36,39)/b10-4+/t22-,28?/m0/s1 | 4 | |
| 1161 | 57 | 53 | | | 727.3104946400001 | COc1cc(C(CC(=O)NCCn2cnc3ccccc3c2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H45N3O10/c1-24-11-10-14-27(44)13-7-5-6-12-25-19-31(45)36(37(47)35(25)40(49)53-24)29(26-20-32(50-2)38(52-4)33(21-26)51-3)22-34(46)41-17-18-43-23-42-30-16-9-8-15-28(30)39(43)48/h6,8-9,12,15-16,19-21,23-24,29,45,47H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,41,46)/b12-6+/t24-,29?/m0/s1 | 5 | |
| 1162 | 60 | 57 | | | 792.383325232 | COc1cc(C(CC(=O)NCC(c2cc(OC)c(OC)c(OC)c2)N(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H56N2O12/c1-25-14-13-17-29(46)16-12-10-11-15-26-18-32(47)39(40(49)38(26)43(50)57-25)30(27-19-33(51-4)41(55-8)34(20-27)52-5)23-37(48)44-24-31(45(2)3)28-21-35(53-6)42(56-9)36(22-28)54-7/h11,15,18-22,25,30-31,47,49H,10,12-14,16-17,23-24H2,1-9H3,(H,44,48)/b15-11+/t25-,30?,31?/m0/s1 | 4 | |
| 1163 | 54 | 51 | | | 707.30540926 | COc1cc(C(CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H45N3O11/c1-21-11-10-14-25(41)13-9-7-8-12-22-15-27(42)33(34(45)32(22)36(46)51-21)26(23-16-28(48-4)35(50-6)29(17-23)49-5)19-30(43)38-20-24-18-31(44)40(3)37(47)39(24)2/h8,12,15-18,21,26,42,45H,7,9-11,13-14,19-20H2,1-6H3,(H,38,43)/b12-8+/t21-,26?/m0/s1 | 4 | |
| 1164 | 55 | 51 | | | 706.382931308 | COc1cc(C(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H54N2O9/c1-25-12-10-16-29(43)15-7-5-6-13-26-20-32(44)37(38(46)36(26)40(47)51-25)30(28-21-33(48-2)39(50-4)34(22-28)49-3)23-35(45)41-24-27-14-11-19-42-18-9-8-17-31(27)42/h6,13,20-22,25,27,30-31,44,46H,5,7-12,14-19,23-24H2,1-4H3,(H,41,45)/b13-6+/t25-,27-,30?,31+/m0/s1 | 5 | |
| 1165 | 53 | 49 | | | 693.272000956 | COc1cc(C(CC(=O)NCc2cn3c(n2)SCC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H43N3O9S/c1-21-9-8-12-25(40)11-7-5-6-10-22-15-27(41)32(33(43)31(22)35(44)48-21)26(23-16-28(45-2)34(47-4)29(17-23)46-3)18-30(42)37-19-24-20-39-13-14-49-36(39)38-24/h6,10,15-17,20-21,26,41,43H,5,7-9,11-14,18-19H2,1-4H3,(H,37,42)/b10-6+/t21-,26?/m0/s1 | 5 | |
| 1166 | 47 | 45 | | | 626.320331052 | COc1cc(C(CC(=O)NCCN(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H46N2O9/c1-21-11-10-14-24(37)13-9-7-8-12-22-17-26(38)31(32(40)30(22)34(41)45-21)25(20-29(39)35-15-16-36(2)3)23-18-27(42-4)33(44-6)28(19-23)43-5/h8,12,17-19,21,25,38,40H,7,9-11,13-16,20H2,1-6H3,(H,35,39)/b12-8+/t21-,25?/m0/s1 | 3 | |
| 1167 | 51 | 48 | | | 663.30434664 | COc1cc(C(CC(=O)NCCCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H45NO10/c1-23-11-8-14-26(39)13-7-5-6-12-24-19-29(40)34(35(42)33(24)37(43)48-23)28(22-32(41)38-17-9-15-27-16-10-18-47-27)25-20-30(44-2)36(46-4)31(21-25)45-3/h6,10,12,16,18-21,23,28,40,42H,5,7-9,11,13-15,17,22H2,1-4H3,(H,38,41)/b12-6+/t23-,28?/m0/s1 | 4 | |
| 1168 | 56 | 52 | | | 717.289759196 | COc1cc(C(CC(=O)NCCc2nc(-c3ccco3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H43N3O11/c1-22-10-8-13-25(42)12-7-5-6-11-23-18-27(43)34(35(45)33(23)38(46)51-22)26(24-19-29(47-2)36(49-4)30(20-24)48-3)21-31(44)39-16-15-32-40-37(41-52-32)28-14-9-17-50-28/h6,9,11,14,17-20,22,26,43,45H,5,7-8,10,12-13,15-16,21H2,1-4H3,(H,39,44)/b11-6+/t22-,26?/m0/s1 | 5 | |
| 1169 | 62 | 57 | | | 788.3520251040001 | COc1cc(C(CC(=O)NCC2c3c(cc4c(c3OC)OCO4)CCN2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H52N2O12/c1-24-11-10-14-28(46)13-9-7-8-12-25-17-31(47)38(39(49)37(25)43(50)57-24)29(27-19-32(51-3)40(53-5)33(20-27)52-4)21-35(48)44-22-30-36-26(15-16-45(30)2)18-34-41(42(36)54-6)56-23-55-34/h8,12,17-20,24,29-30,47,49H,7,9-11,13-16,21-23H2,1-6H3,(H,44,48)/b12-8+/t24-,29?,30?/m0/s1 | 6 | |
| 1170 | 53 | 50 | | | 691.2992612600001 | COc1cc(C(CC(=O)NCC(O)c2cccc(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO11/c1-22-10-8-14-26(40)13-7-5-6-11-24-17-29(42)35(36(45)34(24)38(46)50-22)28(25-18-31(47-2)37(49-4)32(19-25)48-3)20-33(44)39-21-30(43)23-12-9-15-27(41)16-23/h6,9,11-12,15-19,22,28,30,41-43,45H,5,7-8,10,13-14,20-21H2,1-4H3,(H,39,44)/b11-6+/t22-,28?,30?/m0/s1 | 4 | |
| 1171 | 45 | 42 | | | 575.2519171439999 | COc1ccc(C(CC(=O)NCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H37NO8/c1-21-8-6-11-24(35)10-5-3-4-9-23-18-28(36)31(32(38)30(23)33(39)42-21)27(22-13-15-25(40-2)16-14-22)19-29(37)34-20-26-12-7-17-41-26/h4,7,9,12-18,21,27,36,38H,3,5-6,8,10-11,19-20H2,1-2H3,(H,34,37)/b9-4+/t21-,27?/m0/s1 | 4 | |
| 1172 | 48 | 45 | | | 613.303952716 | COc1ccc(C(CC(=O)NCCCc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H43NO7/c1-25-11-9-17-29(39)16-8-4-7-15-28-23-32(40)35(36(42)34(28)37(43)45-25)31(27-18-20-30(44-2)21-19-27)24-33(41)38-22-10-14-26-12-5-3-6-13-26/h3,5-7,12-13,15,18-21,23,25,31,40,42H,4,8-11,14,16-17,22,24H2,1-2H3,(H,38,41)/b15-7+/t25-,31?/m0/s1 | 4 | |
| 1173 | 58 | 54 | | | 759.3189511480001 | COc1cc(C(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H49N3O9S/c1-24-12-11-15-27(45)14-8-6-7-13-25-20-32(46)37(38(48)36(25)41(49)53-24)28(26-21-33(50-2)39(52-4)34(22-26)51-3)23-35(47)42-31(18-19-54-5)40-43-29-16-9-10-17-30(29)44-40/h7,9-10,13,16-17,20-22,24,28,31,46,48H,6,8,11-12,14-15,18-19,23H2,1-5H3,(H,42,47)(H,43,44)/b13-7+/t24-,28?,31-/m0/s1 | 5 | |
| 1174 | 50 | 47 | | | 649.299929956 | COc1cc(C(CC(=O)NCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H43N3O9/c1-22-9-8-12-25(39)11-7-5-6-10-23-17-27(40)32(33(42)31(23)35(43)47-22)26(20-30(41)37-14-16-38-15-13-36-21-38)24-18-28(44-2)34(46-4)29(19-24)45-3/h6,10,13,15,17-19,21-22,26,40,42H,5,7-9,11-12,14,16,20H2,1-4H3,(H,37,41)/b10-6+/t22-,26?/m0/s1 | 4 | |
| 1175 | 57 | 54 | | | 746.305074912 | COC(=O)c1ccc(NC(=O)CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C40H46N2O12/c1-23-10-9-13-28(43)12-8-6-7-11-25-18-30(44)36(37(47)35(25)40(49)54-23)29(26-19-31(50-2)38(52-4)32(20-26)51-3)21-33(45)41-22-34(46)42-27-16-14-24(15-17-27)39(48)53-5/h7,11,14-20,23,29,44,47H,6,8-10,12-13,21-22H2,1-5H3,(H,41,45)(H,42,46)/b11-7+/t23-,29?/m0/s1 | 4 | |
| 1176 | 54 | 50 | | | 689.2836111959999 | COc1cc(C(CC(=O)NCc2ccc3c(c2)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H43NO11/c1-22-9-8-12-26(40)11-7-5-6-10-24-16-28(41)35(36(43)34(24)38(44)50-22)27(25-17-31(45-2)37(47-4)32(18-25)46-3)19-33(42)39-20-23-13-14-29-30(15-23)49-21-48-29/h6,10,13-18,22,27,41,43H,5,7-9,11-12,19-21H2,1-4H3,(H,39,42)/b10-6+/t22-,27?/m0/s1 | 5 | |
| 1177 | 50 | 47 | | | 647.2842798920001 | COc1ccc(C(CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H41N3O9/c1-21-9-8-12-25(39)11-7-5-6-10-23-17-28(40)32(33(43)31(23)34(44)47-21)27(22-13-15-26(46-4)16-14-22)19-29(41)36-20-24-18-30(42)38(3)35(45)37(24)2/h6,10,13-18,21,27,40,43H,5,7-9,11-12,19-20H2,1-4H3,(H,36,41)/b10-6+/t21-,27?/m0/s1 | 4 | |
| 1178 | 47 | 44 | | | 603.294450652 | COc1ccc(C(CC(=O)NCc2c(C)n[nH]c2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H41N3O7/c1-20-9-8-12-25(38)11-7-5-6-10-24-17-29(39)32(33(41)31(24)34(42)44-20)27(23-13-15-26(43-4)16-14-23)18-30(40)35-19-28-21(2)36-37-22(28)3/h6,10,13-17,20,27,39,41H,5,7-9,11-12,18-19H2,1-4H3,(H,35,40)(H,36,37)/b10-6+/t20-,27?/m0/s1 | 4 | |
| 1179 | 55 | 51 | | | 703.29926126 | COc1cc(C(CC(=O)NCC2COc3ccccc3O2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45NO11/c1-23-11-10-14-26(41)13-7-5-6-12-24-17-29(42)36(37(44)35(24)39(45)50-23)28(25-18-32(46-2)38(48-4)33(19-25)47-3)20-34(43)40-21-27-22-49-30-15-8-9-16-31(30)51-27/h6,8-9,12,15-19,23,27-28,42,44H,5,7,10-11,13-14,20-22H2,1-4H3,(H,40,43)/b12-6+/t23-,27?,28?/m0/s1 | 5 | |
| 1180 | 51 | 48 | | | 668.330895736 | COc1cc(C(CC(=O)NCCN2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H48N2O10/c1-23-9-8-12-26(39)11-7-5-6-10-24-19-28(40)33(34(42)32(24)36(43)48-23)27(22-31(41)37-13-14-38-15-17-47-18-16-38)25-20-29(44-2)35(46-4)30(21-25)45-3/h6,10,19-21,23,27,40,42H,5,7-9,11-18,22H2,1-4H3,(H,37,41)/b10-6+/t23-,27?/m0/s1 | 4 | |
| 1181 | 54 | 51 | | | 708.362195864 | COc1cc(C(CC(=O)NCCCN2CCCCCC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H52N2O10/c1-25-13-11-16-28(42)15-8-5-7-14-26-21-30(43)36(37(46)35(26)39(47)51-25)29(27-22-31(48-2)38(50-4)32(23-27)49-3)24-33(44)40-18-12-20-41-19-10-6-9-17-34(41)45/h7,14,21-23,25,29,43,46H,5-6,8-13,15-20,24H2,1-4H3,(H,40,44)/b14-7+/t25-,29?/m0/s1 | 4 | |
| 1182 | 53 | 50 | | | 709.266915576 | COc1cc(C(CC(=O)NCCC(=O)Nc2nccs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H43N3O10S/c1-21-9-8-12-24(40)11-7-5-6-10-22-17-26(41)32(33(44)31(22)35(45)49-21)25(23-18-27(46-2)34(48-4)28(19-23)47-3)20-30(43)37-14-13-29(42)39-36-38-15-16-50-36/h6,10,15-19,21,25,41,44H,5,7-9,11-14,20H2,1-4H3,(H,37,43)(H,38,39,42)/b10-6+/t21-,25?/m0/s1 | 4 | |
| 1183 | 46 | 43 | | | 589.2788005879999 | COc1ccc(C(CC(=O)NCc2c[nH]nc2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H39N3O7/c1-20-8-7-11-25(37)10-6-4-5-9-23-16-28(38)31(32(40)30(23)33(41)43-20)27(22-12-14-26(42-3)15-13-22)17-29(39)34-18-24-19-35-36-21(24)2/h5,9,12-16,19-20,27,38,40H,4,6-8,10-11,17-18H2,1-3H3,(H,34,39)(H,35,36)/b9-5+/t20-,27?/m0/s1 | 4 | |
| 1184 | 50 | 47 | | | 651.290427892 | COc1cc(C(CC(=O)NCc2n[nH]c(N)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H41N5O9/c1-18-9-8-12-21(39)11-7-5-6-10-19-13-23(40)29(30(42)28(19)32(43)47-18)22(16-27(41)35-17-26-36-33(34)38-37-26)20-14-24(44-2)31(46-4)25(15-20)45-3/h6,10,13-15,18,22,40,42H,5,7-9,11-12,16-17H2,1-4H3,(H,35,41)(H3,34,36,37,38)/b10-6+/t18-,22?/m0/s1 | 4 | |
| 1185 | 54 | 51 | | | 702.3152456720001 | COc1cc(C(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H46N2O10/c1-23-12-11-17-27(42)16-10-6-9-15-25-19-30(43)35(36(45)34(25)39(47)51-23)28(26-20-31(48-2)37(50-4)32(21-26)49-3)22-33(44)41-29(38(40)46)18-24-13-7-5-8-14-24/h5,7-9,13-15,19-21,23,28-29,43,45H,6,10-12,16-18,22H2,1-4H3,(H2,40,46)(H,41,44)/b15-9+/t23-,28?,29-/m0/s1 | 4 | |
| 1186 | 58 | 53 | | | 729.38768234 | COc1cc(C(CC(=O)N[C@H]2C3CCCC2C2=C(CCCC2)C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H55NO9/c1-25-12-10-17-30(45)16-7-5-6-14-27-21-34(46)39(41(48)38(27)43(49)53-25)33(29-22-35(50-2)42(52-4)36(23-29)51-3)24-37(47)44-40-28-15-11-19-32(40)31-18-9-8-13-26(31)20-28/h6,14,21-23,25,28,32-33,40,46,48H,5,7-13,15-20,24H2,1-4H3,(H,44,47)/b14-6+/t25-,28?,32?,33?,40-/m0/s1 | 6 | |
| 1187 | 60 | 55 | | | 753.362530212 | COc1ccc(C(CC(=O)NCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C43H51N3O9/c1-27-9-6-12-32(47)11-5-3-4-10-30-22-36(48)41(42(52)40(30)43(53)55-27)34(29-16-18-33(54-2)19-17-29)23-37(49)44-20-8-15-38(50)45-24-28-21-31(26-45)35-13-7-14-39(51)46(35)25-28/h4,7,10,13-14,16-19,22,27-28,31,34,48,52H,3,5-6,8-9,11-12,15,20-21,23-26H2,1-2H3,(H,44,49)/b10-4+/t27-,28+,31-,34?/m0/s1 | 6 | |
| 1188 | 47 | 44 | | | 620.2556226199999 | COc1ccc(C(CC(=O)NCCc2nc(C)cs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H40N2O7S/c1-21-20-44-30(36-21)16-17-35-29(39)19-27(23-12-14-26(42-3)15-13-23)32-28(38)18-24-9-5-4-6-10-25(37)11-7-8-22(2)43-34(41)31(24)33(32)40/h5,9,12-15,18,20,22,27,38,40H,4,6-8,10-11,16-17,19H2,1-3H3,(H,35,39)/b9-5+/t22-,27?/m0/s1 | 4 | |
| 1189 | 49 | 46 | | | 631.2781318919999 | COc1ccc(C(CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO9/c1-22-7-6-10-26(38)9-5-3-4-8-25-20-31(41)34(35(43)33(25)36(44)46-22)28(24-12-14-27(45-2)15-13-24)21-32(42)37-18-17-23-11-16-29(39)30(40)19-23/h4,8,11-16,19-20,22,28,39-41,43H,3,5-7,9-10,17-18,21H2,1-2H3,(H,37,42)/b8-4+/t22-,28?/m0/s1 | 4 | |
| 1190 | 49 | 46 | | | 632.27338086 | COc1ccc(C(CC(=O)NCC(=O)NCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H40N2O9/c1-22-8-6-11-25(38)10-5-3-4-9-24-18-29(39)33(34(42)32(24)35(43)46-22)28(23-13-15-26(44-2)16-14-23)19-30(40)37-21-31(41)36-20-27-12-7-17-45-27/h4,7,9,12-18,22,28,39,42H,3,5-6,8,10-11,19-21H2,1-2H3,(H,36,41)(H,37,40)/b9-4+/t22-,28?/m0/s1 | 4 | |
| 1191 | 58 | 55 | | | 759.336709388 | COc1cc(C(CC(=O)NCCC(=O)Nc2ccc(NC(C)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H49N3O11/c1-24-10-9-13-30(46)12-8-6-7-11-26-20-32(47)38(39(50)37(26)41(51)55-24)31(27-21-33(52-3)40(54-5)34(22-27)53-4)23-36(49)42-19-18-35(48)44-29-16-14-28(15-17-29)43-25(2)45/h7,11,14-17,20-22,24,31,47,50H,6,8-10,12-13,18-19,23H2,1-5H3,(H,42,49)(H,43,45)(H,44,48)/b11-7+/t24-,31?/m0/s1 | 4 | |
| 1192 | 52 | 49 | | | 680.330895736 | COc1cc(C(CC(=O)NC2CCN(C(C)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H48N2O10/c1-22-10-9-13-27(41)12-8-6-7-11-24-18-29(42)34(35(44)33(24)37(45)49-22)28(25-19-30(46-3)36(48-5)31(20-25)47-4)21-32(43)38-26-14-16-39(17-15-26)23(2)40/h7,11,18-20,22,26,28,42,44H,6,8-10,12-17,21H2,1-5H3,(H,38,43)/b11-7+/t22-,28?/m0/s1 | 4 | |
| 1193 | 53 | 50 | | | 709.303301084 | COc1cc(C(CC(=O)NCCSCc2[nH]cnc2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H47N3O9S/c1-22-10-9-13-26(41)12-8-6-7-11-24-16-29(42)34(35(44)33(24)37(45)49-22)27(25-17-30(46-3)36(48-5)31(18-25)47-4)19-32(43)38-14-15-50-20-28-23(2)39-21-40-28/h7,11,16-18,21-22,27,42,44H,6,8-10,12-15,19-20H2,1-5H3,(H,38,43)(H,39,40)/b11-7+/t22-,27?/m0/s1 | 4 | |
| 1194 | 48 | 45 | | | 615.283217272 | COc1ccc(C(CC(=O)NCCc2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO8/c1-23-7-6-10-27(38)9-5-3-4-8-26-21-31(40)34(35(42)33(26)36(43)45-23)30(25-13-17-29(44-2)18-14-25)22-32(41)37-20-19-24-11-15-28(39)16-12-24/h4,8,11-18,21,23,30,39-40,42H,3,5-7,9-10,19-20,22H2,1-2H3,(H,37,41)/b8-4+/t23-,30?/m0/s1 | 4 | |
| 1195 | 57 | 53 | | | 729.3261447040001 | COc1cc(C(CC(=O)NCCn2c(CO)nc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H47N3O10/c1-24-11-10-14-27(45)13-7-5-6-12-25-19-31(46)37(38(48)36(25)40(49)53-24)28(26-20-32(50-2)39(52-4)33(21-26)51-3)22-35(47)41-17-18-43-30-16-9-8-15-29(30)42-34(43)23-44/h6,8-9,12,15-16,19-21,24,28,44,46,48H,5,7,10-11,13-14,17-18,22-23H2,1-4H3,(H,41,47)/b12-6+/t24-,28?/m0/s1 | 5 | |
| 1196 | 50 | 47 | | | 651.279194512 | COc1cc(C(CC(=O)NCc2nc(C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H41N3O10/c1-19-10-9-13-23(38)12-8-6-7-11-21-14-25(39)31(32(41)30(21)34(42)46-19)24(17-28(40)35-18-29-36-20(2)37-47-29)22-15-26(43-3)33(45-5)27(16-22)44-4/h7,11,14-16,19,24,39,41H,6,8-10,12-13,17-18H2,1-5H3,(H,35,40)/b11-7+/t19-,24?/m0/s1 | 4 | |
| 1197 | 54 | 51 | | | 699.3155800200001 | COc1ccc(C(CC(=O)NCCC(=O)Nc2ccc(NC(C)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H45N3O9/c1-24-8-7-11-30(44)10-6-4-5-9-27-22-33(45)37(38(48)36(27)39(49)51-24)32(26-12-18-31(50-3)19-13-26)23-35(47)40-21-20-34(46)42-29-16-14-28(15-17-29)41-25(2)43/h5,9,12-19,22,24,32,45,48H,4,6-8,10-11,20-21,23H2,1-3H3,(H,40,47)(H,41,43)(H,42,46)/b9-5+/t24-,32?/m0/s1 | 4 | |
| 1198 | 47 | 44 | | | 629.2294674479999 | COc1ccc(C(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C32H39NO10S/c1-19-7-6-10-22(34)9-5-3-4-8-21-15-26(35)30(31(38)29(21)32(39)43-19)24(20-11-13-23(42-2)14-12-20)16-28(37)33-25-17-44(40,41)18-27(25)36/h4,8,11-15,19,24-25,27,35-36,38H,3,5-7,9-10,16-18H2,1-2H3,(H,33,37)/b8-4+/t19-,24?,25-,27+/m0/s1 | 4 | |
| 1199 | 62 | 58 | | | 801.347274072 | COc1cc2nc(C)n(CCNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(=O)c2cc1OC | | InChI=1S/C43H51N3O12/c1-24-12-11-15-28(47)14-10-8-9-13-26-18-32(48)39(40(50)38(26)43(52)58-24)29(27-19-35(55-5)41(57-7)36(20-27)56-6)22-37(49)44-16-17-46-25(2)45-31-23-34(54-4)33(53-3)21-30(31)42(46)51/h9,13,18-21,23-24,29,48,50H,8,10-12,14-17,22H2,1-7H3,(H,44,49)/b13-9+/t24-,29?/m0/s1 | 5 | |
| 1200 | 53 | 49 | | | 682.2712726840001 | COc1ccc(C(CC(=O)NCc2cccc(-c3nc(C)cs3)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H42N2O7S/c1-24-23-49-38(41-24)29-12-8-10-26(19-29)22-40-34(44)21-32(27-15-17-31(47-3)18-16-27)36-33(43)20-28-11-5-4-6-13-30(42)14-7-9-25(2)48-39(46)35(28)37(36)45/h5,8,10-12,15-20,23,25,32,43,45H,4,6-7,9,13-14,21-22H2,1-3H3,(H,40,44)/b11-5+/t25-,32?/m0/s1 | 5 | |
| 1201 | 56 | 52 | | | 714.3152456720001 | COc1cc(C(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H46N2O10/c1-23-9-8-12-27(43)11-7-5-6-10-24-17-32(45)37(38(47)36(24)40(48)52-23)30(26-18-33(49-2)39(51-4)34(19-26)50-3)21-35(46)41-16-15-25-22-42-31-14-13-28(44)20-29(25)31/h6,10,13-14,17-20,22-23,30,42,44-45,47H,5,7-9,11-12,15-16,21H2,1-4H3,(H,41,46)/b10-6+/t23-,30?/m0/s1 | 5 | |
| 1202 | 43 | 41 | | | 566.262816176 | COc1ccc(C(CC(=O)N[C@@H](C)C(N)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H38N2O8/c1-18-8-7-11-22(34)10-6-4-5-9-21-16-25(35)28(29(37)27(21)31(39)41-18)24(17-26(36)33-19(2)30(32)38)20-12-14-23(40-3)15-13-20/h5,9,12-16,18-19,24,35,37H,4,6-8,10-11,17H2,1-3H3,(H2,32,38)(H,33,36)/b9-5+/t18-,19-,24?/m0/s1 | 3 | |
| 1203 | 49 | 46 | | | 631.2781318919999 | COc1ccc(C(CC(=O)NCC(O)c2cccc(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO9/c1-22-8-6-12-26(38)11-5-3-4-9-25-19-30(40)34(35(43)33(25)36(44)46-22)29(23-14-16-28(45-2)17-15-23)20-32(42)37-21-31(41)24-10-7-13-27(39)18-24/h4,7,9-10,13-19,22,29,31,39-41,43H,3,5-6,8,11-12,20-21H2,1-2H3,(H,37,42)/b9-4+/t22-,29?,31?/m0/s1 | 4 | |
| 1204 | 50 | 47 | | | 649.299929956 | COc1cc(C(CC(=O)NCCn2cccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H43N3O9/c1-22-10-8-13-25(39)12-7-5-6-11-23-18-27(40)32(33(42)31(23)35(43)47-22)26(21-30(41)36-15-17-38-16-9-14-37-38)24-19-28(44-2)34(46-4)29(20-24)45-3/h6,9,11,14,16,18-20,22,26,40,42H,5,7-8,10,12-13,15,17,21H2,1-4H3,(H,36,41)/b11-6+/t22-,26?/m0/s1 | 4 | |
| 1205 | 53 | 50 | | | 693.278525816 | COC(=O)c1ccc(CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)o1 | | InChI=1S/C37H43NO12/c1-21-10-9-13-24(39)12-8-6-7-11-22-16-27(40)33(34(42)32(22)37(44)49-21)26(23-17-29(45-2)35(47-4)30(18-23)46-3)19-31(41)38-20-25-14-15-28(50-25)36(43)48-5/h7,11,14-18,21,26,40,42H,6,8-10,12-13,19-20H2,1-5H3,(H,38,41)/b11-7+/t21-,26?/m0/s1 | 4 | |
| 1206 | 51 | 48 | | | 659.3094320199999 | COc1cc(C(CC(=O)N[C@@H](C)c2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO9/c1-23-13-12-18-28(40)17-11-7-10-16-26-19-30(41)35(36(43)34(26)38(44)48-23)29(22-33(42)39-24(2)25-14-8-6-9-15-25)27-20-31(45-3)37(47-5)32(21-27)46-4/h6,8-10,14-16,19-21,23-24,29,41,43H,7,11-13,17-18,22H2,1-5H3,(H,39,42)/b16-10+/t23-,24-,29?/m0/s1 | 4 | |
| 1207 | 46 | 44 | | | 613.2886965759999 | COc1cc(C(CC(=O)NC[C@@H](C)O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H43NO10/c1-19(35)18-34-28(38)17-24(22-15-26(41-3)32(43-5)27(16-22)42-4)30-25(37)14-21-11-7-6-8-12-23(36)13-9-10-20(2)44-33(40)29(21)31(30)39/h7,11,14-16,19-20,24,35,37,39H,6,8-10,12-13,17-18H2,1-5H3,(H,34,38)/b11-7+/t19-,20+,24?/m1/s1 | 3 | |
| 1208 | 56 | 53 | | | 736.3319583560001 | COc1cc(C(CC(=O)NCC(=O)NCc2nc(C(C)C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H48N4O11/c1-21(2)37-41-32(53-42-37)20-40-31(46)19-39-30(45)18-26(24-16-28(49-4)36(51-6)29(17-24)50-5)34-27(44)15-23-12-8-7-9-13-25(43)14-10-11-22(3)52-38(48)33(23)35(34)47/h8,12,15-17,21-22,26,44,47H,7,9-11,13-14,18-20H2,1-6H3,(H,39,45)(H,40,46)/b12-8+/t22-,26?/m0/s1 | 4 | |
| 1209 | 56 | 53 | | | 732.325810356 | COc1ccc(CNC(=O)CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C40H48N2O11/c1-24-10-9-13-28(43)12-8-6-7-11-26-18-31(44)37(38(47)36(26)40(48)53-24)30(27-19-32(50-3)39(52-5)33(20-27)51-4)21-34(45)42-23-35(46)41-22-25-14-16-29(49-2)17-15-25/h7,11,14-20,24,30,44,47H,6,8-10,12-13,21-23H2,1-5H3,(H,41,46)(H,42,45)/b11-7+/t24-,30?/m0/s1 | 4 | |
| 1210 | 54 | 51 | | | 707.29417588 | COc1cc(C(CC(=O)NC[C@H](O)c2ccc(O)c(O)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO12/c1-21-9-8-12-25(40)11-7-5-6-10-23-16-29(43)35(36(46)34(23)38(47)51-21)26(24-17-31(48-2)37(50-4)32(18-24)49-3)19-33(45)39-20-30(44)22-13-14-27(41)28(42)15-22/h6,10,13-18,21,26,30,41-44,46H,5,7-9,11-12,19-20H2,1-4H3,(H,39,45)/b10-6+/t21-,26?,30-/m0/s1 | 4 | |
| 1211 | 48 | 46 | | | 643.2992612600001 | COc1cc(C(CC(=O)NCC(OC)OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H45NO11/c1-20-11-10-14-23(36)13-9-7-8-12-21-15-25(37)31(32(39)30(21)34(40)46-20)24(18-28(38)35-19-29(43-4)44-5)22-16-26(41-2)33(45-6)27(17-22)42-3/h8,12,15-17,20,24,29,37,39H,7,9-11,13-14,18-19H2,1-6H3,(H,35,38)/b12-8+/t20-,24?/m0/s1 | 3 | |
| 1212 | 52 | 49 | | | 675.30434664 | COc1ccc(CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H45NO10/c1-23-10-9-13-27(40)12-8-6-7-11-25-18-30(41)35(36(43)34(25)38(44)49-23)29(26-19-31(46-3)37(48-5)32(20-26)47-4)21-33(42)39-22-24-14-16-28(45-2)17-15-24/h7,11,14-20,23,29,41,43H,6,8-10,12-13,21-22H2,1-5H3,(H,39,42)/b11-7+/t23-,29?/m0/s1 | 4 | |
| 1213 | 63 | 58 | | | 799.3680095160001 | COc1cc(C(CC(=O)NCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C44H53N3O11/c1-26-10-8-13-31(48)12-7-5-6-11-28-19-34(49)41(42(53)40(28)44(54)58-26)32(29-20-35(55-2)43(57-4)36(21-29)56-3)22-37(50)45-17-16-38(51)46-23-27-18-30(25-46)33-14-9-15-39(52)47(33)24-27/h6,9,11,14-15,19-21,26-27,30,32,49,53H,5,7-8,10,12-13,16-18,22-25H2,1-4H3,(H,45,50)/b11-6+/t26-,27+,30-,32?/m0/s1 | 6 | |
| 1214 | 59 | 54 | | | 739.3468801480001 | COc1ccc(C(CC(=O)NCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C42H49N3O9/c1-26-8-6-11-31(46)10-5-3-4-9-29-21-35(47)40(41(51)39(29)42(52)54-26)33(28-14-16-32(53-2)17-15-28)22-36(48)43-19-18-37(49)44-23-27-20-30(25-44)34-12-7-13-38(50)45(34)24-27/h4,7,9,12-17,21,26-27,30,33,47,51H,3,5-6,8,10-11,18-20,22-25H2,1-2H3,(H,43,48)/b9-4+/t26-,27+,30-,33?/m0/s1 | 6 | |
| 1215 | 50 | 47 | | | 646.289030924 | COc1cc(C(CC(=O)NCc2ccncc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H42N2O9/c1-22-9-8-12-26(39)11-7-5-6-10-24-17-28(40)33(34(42)32(24)36(43)47-22)27(20-31(41)38-21-23-13-15-37-16-14-23)25-18-29(44-2)35(46-4)30(19-25)45-3/h6,10,13-19,22,27,40,42H,5,7-9,11-12,20-21H2,1-4H3,(H,38,41)/b10-6+/t22-,27?/m0/s1 | 4 | |
| 1216 | 60 | 55 | | | 754.3465458 | COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C43H50N2O10/c1-24-11-9-14-27(46)13-8-6-7-12-25-19-34(47)39(41(49)38(25)43(50)55-24)30(26-20-35(52-3)42(54-5)36(21-26)53-4)23-37(48)44-33-16-10-15-29-31-22-28(51-2)17-18-32(31)45-40(29)33/h7,12,17-22,24,30,33,45,47,49H,6,8-11,13-16,23H2,1-5H3,(H,44,48)/b12-7+/t24-,30?,33?/m0/s1 | 6 | |
| 1217 | 53 | 50 | | | 689.319996704 | COc1cc(C(CC(=O)N[C@@H](CO)Cc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H47NO10/c1-24-12-11-17-29(42)16-10-6-9-15-26-19-31(43)36(37(45)35(26)39(46)50-24)30(27-20-32(47-2)38(49-4)33(21-27)48-3)22-34(44)40-28(23-41)18-25-13-7-5-8-14-25/h5,7-9,13-15,19-21,24,28,30,41,43,45H,6,10-12,16-18,22-23H2,1-4H3,(H,40,44)/b15-9+/t24-,28+,30?/m0/s1 | 4 | |
| 1218 | 55 | 51 | | | 701.319996704 | COc1cc(C(CC(=O)NCC2OCCc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H47NO10/c1-24-11-10-15-28(42)14-7-5-6-13-26-19-31(43)37(38(45)36(26)40(46)51-24)30(27-20-32(47-2)39(49-4)33(21-27)48-3)22-35(44)41-23-34-29-16-9-8-12-25(29)17-18-50-34/h6,8-9,12-13,16,19-21,24,30,34,43,45H,5,7,10-11,14-15,17-18,22-23H2,1-4H3,(H,41,44)/b13-6+/t24-,30?,34?/m0/s1 | 5 | |
| 1219 | 52 | 49 | | | 676.310828988 | COc1cc(C(CC(=O)NCCNc2ncccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H44N4O9/c1-22-10-8-13-25(41)12-7-5-6-11-23-18-27(42)32(33(44)31(23)35(45)49-22)26(24-19-28(46-2)34(48-4)29(20-24)47-3)21-30(43)37-16-17-40-36-38-14-9-15-39-36/h6,9,11,14-15,18-20,22,26,42,44H,5,7-8,10,12-13,16-17,21H2,1-4H3,(H,37,43)(H,38,39,40)/b11-6+/t22-,26?/m0/s1 | 4 | |
| 1220 | 61 | 56 | | | 757.3727009720001 | COc1ccc(C(CC(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C46H51N3O7/c1-29-11-10-14-34(50)13-7-5-6-12-32-25-41(51)44(45(53)43(32)46(54)56-29)37(30-19-23-35(55-4)24-20-30)26-42(52)48-27-38(31-17-21-33(22-18-31)49(2)3)39-28-47-40-16-9-8-15-36(39)40/h6,8-9,12,15-25,28-29,37-38,47,51,53H,5,7,10-11,13-14,26-27H2,1-4H3,(H,48,52)/b12-6+/t29-,37?,38?/m0/s1 | 6 | |
| 1221 | 54 | 50 | | | 681.305015336 | COc1ccc(C(CC(=O)NCCNC(=O)c2cc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H43N3O8/c1-24-9-8-13-28(43)12-5-3-4-11-27-22-33(44)36(37(46)35(27)39(48)50-24)30(25-15-17-29(49-2)18-16-25)23-34(45)40-19-20-41-38(47)32-21-26-10-6-7-14-31(26)42-32/h4,6-7,10-11,14-18,21-22,24,30,42,44,46H,3,5,8-9,12-13,19-20,23H2,1-2H3,(H,40,45)(H,41,47)/b11-4+/t24-,30?/m0/s1 | 5 | |
| 1222 | 51 | 48 | | | 657.3050153359999 | COc1ccc(C(CC(=O)NCCNC(=O)Nc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H43N3O8/c1-24-10-9-15-28(41)14-8-3-5-11-26-22-31(42)34(35(44)33(26)36(45)48-24)30(25-16-18-29(47-2)19-17-25)23-32(43)38-20-21-39-37(46)40-27-12-6-4-7-13-27/h4-7,11-13,16-19,22,24,30,42,44H,3,8-10,14-15,20-21,23H2,1-2H3,(H,38,43)(H2,39,40,46)/b11-5+/t24-,30?/m0/s1 | 4 | |
| 1223 | 48 | 45 | | | 616.28969962 | COc1ccc(C(CC(=O)NCCNc2ncccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H40N4O7/c1-22-8-6-11-25(39)10-5-3-4-9-24-20-28(40)31(32(42)30(24)33(43)45-22)27(23-12-14-26(44-2)15-13-23)21-29(41)35-18-19-38-34-36-16-7-17-37-34/h4,7,9,12-17,20,22,27,40,42H,3,5-6,8,10-11,18-19,21H2,1-2H3,(H,35,41)(H,36,37,38)/b9-4+/t22-,27?/m0/s1 | 4 | |
| 1224 | 48 | 45 | | | 635.2301361440001 | COc1ccc(C(CC(=O)NCC(=O)Nc2nccs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H37N3O8S/c1-20-7-6-10-23(37)9-5-3-4-8-22-17-26(38)30(31(41)29(22)32(42)44-20)25(21-11-13-24(43-2)14-12-21)18-27(39)35-19-28(40)36-33-34-15-16-45-33/h4,8,11-17,20,25,38,41H,3,5-7,9-10,18-19H2,1-2H3,(H,35,39)(H,34,36,40)/b8-4+/t20-,25?/m0/s1 | 4 | |
| 1225 | 51 | 48 | | | 680.276751988 | COc1cc(C(CC(=O)NCCc2nc(C)cs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H44N2O9S/c1-21-20-48-31(38-21)14-15-37-30(41)19-26(24-17-28(44-3)35(46-5)29(18-24)45-4)33-27(40)16-23-11-7-6-8-12-25(39)13-9-10-22(2)47-36(43)32(23)34(33)42/h7,11,16-18,20,22,26,40,42H,6,8-10,12-15,19H2,1-5H3,(H,37,41)/b11-7+/t22-,26?/m0/s1 | 4 | |
| 1226 | 55 | 51 | | | 700.3108289880001 | COc1cc(C(CC(=O)N[C@H](C)c2nnc3ccccn23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H44N4O9/c1-22-12-11-15-26(43)14-8-6-7-13-24-18-28(44)34(35(46)33(24)38(47)51-22)27(25-19-29(48-3)36(50-5)30(20-25)49-4)21-32(45)39-23(2)37-41-40-31-16-9-10-17-42(31)37/h7,9-10,13,16-20,22-23,27,44,46H,6,8,11-12,14-15,21H2,1-5H3,(H,39,45)/b13-7+/t22-,23+,27?/m0/s1 | 5 | |
| 1227 | 63 | 58 | | | 799.3680095160001 | COc1cc(C(CC(=O)NC(C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C44H53N3O11/c1-25-11-9-14-31(48)13-8-6-7-12-28-18-34(49)40(41(52)39(28)44(54)58-25)32(29-19-35(55-3)42(57-5)36(20-29)56-4)21-37(50)45-26(2)43(53)46-22-27-17-30(24-46)33-15-10-16-38(51)47(33)23-27/h7,10,12,15-16,18-20,25-27,30,32,49,52H,6,8-9,11,13-14,17,21-24H2,1-5H3,(H,45,50)/b12-7+/t25-,26?,27+,30-,32?/m0/s1 | 6 | |
| 1228 | 55 | 51 | | | 699.3155800200001 | COc1cc(C(CC(=O)NCc2nc3ccc(C)cc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-22-14-15-28-29(16-22)42-33(41-28)21-40-34(45)20-27(25-18-31(48-3)38(50-5)32(19-25)49-4)36-30(44)17-24-11-7-6-8-12-26(43)13-9-10-23(2)51-39(47)35(24)37(36)46/h7,11,14-19,23,27,44,46H,6,8-10,12-13,20-21H2,1-5H3,(H,40,45)(H,41,42)/b11-7+/t23-,27?/m0/s1 | 5 | |
| 1229 | 50 | 47 | | | 643.2893652719999 | COc1ccc(C(CC(=O)NCCC(=O)Nc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41N3O8/c1-23-9-8-12-26(40)11-5-3-4-10-25-21-29(41)34(35(44)33(25)36(45)47-23)28(24-14-16-27(46-2)17-15-24)22-32(43)38-20-18-31(42)39-30-13-6-7-19-37-30/h4,6-7,10,13-17,19,21,23,28,41,44H,3,5,8-9,11-12,18,20,22H2,1-2H3,(H,38,43)(H,37,39,42)/b10-4+/t23-,28?/m0/s1 | 4 | |
| 1230 | 54 | 51 | | | 704.294510228 | COc1cc(C(CC(=O)N[C@@H](C(N)=O)c2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H44N2O11/c1-21-9-8-12-25(41)11-7-5-6-10-23-17-28(43)33(35(45)32(23)38(47)51-21)27(24-18-29(48-2)36(50-4)30(19-24)49-3)20-31(44)40-34(37(39)46)22-13-15-26(42)16-14-22/h6,10,13-19,21,27,34,42-43,45H,5,7-9,11-12,20H2,1-4H3,(H2,39,46)(H,40,44)/b10-6+/t21-,27?,34+/m0/s1 | 4 | |
| 1231 | 52 | 48 | | | 654.294116304 | COc1ccc(C(CC(=O)NC2CCc3ccccc3NC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H42N2O8/c1-23-9-8-13-27(41)12-5-3-4-11-26-21-32(42)35(36(44)34(26)38(46)48-23)29(24-15-18-28(47-2)19-16-24)22-33(43)39-31-20-17-25-10-6-7-14-30(25)40-37(31)45/h4,6-7,10-11,14-16,18-19,21,23,29,31,42,44H,3,5,8-9,12-13,17,20,22H2,1-2H3,(H,39,43)(H,40,45)/b11-4+/t23-,29?,31?/m0/s1 | 5 | |
| 1232 | 52 | 48 | | | 656.320999748 | COc1ccc(C(CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H44N4O7/c1-24-8-6-11-28(42)10-5-3-4-9-26-22-31(43)34(35(45)33(26)36(46)48-24)30(25-12-14-29(47-2)15-13-25)23-32(44)40-27-16-20-41(21-17-27)37-38-18-7-19-39-37/h4,7,9,12-15,18-19,22,24,27,30,43,45H,3,5-6,8,10-11,16-17,20-21,23H2,1-2H3,(H,40,44)/b9-4+/t24-,30?/m0/s1 | 5 | |
| 1233 | 44 | 42 | | | 580.27846624 | COc1ccc(C(CC(=O)NCCNC(C)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C32H40N2O8/c1-20-8-7-11-24(36)10-6-4-5-9-23-18-27(37)30(31(39)29(23)32(40)42-20)26(22-12-14-25(41-3)15-13-22)19-28(38)34-17-16-33-21(2)35/h5,9,12-15,18,20,26,37,39H,4,6-8,10-11,16-17,19H2,1-3H3,(H,33,35)(H,34,38)/b9-5+/t20-,26?/m0/s1 | 3 | |
| 1234 | 47 | 44 | | | 603.294450652 | COc1ccc(C(CC(=O)NCCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H41N3O7/c1-23-8-6-11-26(38)10-5-3-4-9-25-20-29(39)32(33(41)31(25)34(42)44-23)28(24-12-14-27(43-2)15-13-24)21-30(40)36-16-7-18-37-19-17-35-22-37/h4,9,12-15,17,19-20,22-23,28,39,41H,3,5-8,10-11,16,18,21H2,1-2H3,(H,36,40)/b9-4+/t23-,28?/m0/s1 | 4 | |
| 1235 | 49 | 46 | | | 649.245786208 | COc1ccc(C(CC(=O)NCCC(=O)Nc2nccs2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H39N3O8S/c1-21-7-6-10-24(38)9-5-3-4-8-23-19-27(39)31(32(42)30(23)33(43)45-21)26(22-11-13-25(44-2)14-12-22)20-29(41)35-16-15-28(40)37-34-36-17-18-46-34/h4,8,11-14,17-19,21,26,39,42H,3,5-7,9-10,15-16,20H2,1-2H3,(H,35,41)(H,36,37,40)/b8-4+/t21-,26?/m0/s1 | 4 | |
| 1236 | 49 | 46 | | | 633.2573964479999 | COC(=O)c1ccc(CNC(=O)CC(c2ccc(OC)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)o1 | | InChI=1S/C35H39NO10/c1-21-8-7-11-24(37)10-6-4-5-9-23-18-28(38)32(33(40)31(23)35(42)45-21)27(22-12-14-25(43-2)15-13-22)19-30(39)36-20-26-16-17-29(46-26)34(41)44-3/h5,9,12-18,21,27,38,40H,4,6-8,10-11,19-20H2,1-3H3,(H,36,39)/b9-5+/t21-,27?/m0/s1 | 4 | |
| 1237 | 45 | 43 | | | 615.2502028920001 | COc1cc(C(CC(=O)NCCS)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C32H41NO9S/c1-19-9-8-12-22(34)11-7-5-6-10-20-15-24(35)29(30(37)28(20)32(38)42-19)23(18-27(36)33-13-14-43)21-16-25(39-2)31(41-4)26(17-21)40-3/h6,10,15-17,19,23,35,37,43H,5,7-9,11-14,18H2,1-4H3,(H,33,36)/b10-6+/t19-,23?/m0/s1 | 3 | |
| 1238 | 49 | 46 | | | 631.2781318919999 | COc1ccc(C(CC(=O)NCC(O)c2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41NO9/c1-22-7-6-10-26(38)9-5-3-4-8-25-19-30(40)34(35(43)33(25)36(44)46-22)29(23-13-17-28(45-2)18-14-23)20-32(42)37-21-31(41)24-11-15-27(39)16-12-24/h4,8,11-19,22,29,31,39-41,43H,3,5-7,9-10,20-21H2,1-2H3,(H,37,42)/b8-4+/t22-,29?,31?/m0/s1 | 4 | |
| 1239 | 53 | 50 | | | 691.2992612600001 | COc1cc(C(CC(=O)NCC(O)c2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO11/c1-22-9-8-12-26(40)11-7-5-6-10-24-17-29(42)35(36(45)34(24)38(46)50-22)28(25-18-31(47-2)37(49-4)32(19-25)48-3)20-33(44)39-21-30(43)23-13-15-27(41)16-14-23/h6,10,13-19,22,28,30,41-43,45H,5,7-9,11-12,20-21H2,1-4H3,(H,39,44)/b10-6+/t22-,28?,30?/m0/s1 | 4 | |
| 1240 | 45 | 43 | | | 599.2730465120001 | COc1cc(C(CC(=O)NCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C32H41NO10/c1-19-9-8-12-22(35)11-7-5-6-10-20-15-24(36)29(30(38)28(20)32(39)43-19)23(18-27(37)33-13-14-34)21-16-25(40-2)31(42-4)26(17-21)41-3/h6,10,15-17,19,23,34,36,38H,5,7-9,11-14,18H2,1-4H3,(H,33,37)/b10-6+/t19-,23?/m0/s1 | 3 | |
| 1241 | 52 | 48 | | | 668.25562262 | COc1ccc(C(CC(=O)NCc2cccc(-c3nccs3)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H40N2O7S/c1-24-8-6-13-29(41)12-5-3-4-10-27-21-32(42)35(36(44)34(27)38(45)47-24)31(26-14-16-30(46-2)17-15-26)22-33(43)40-23-25-9-7-11-28(20-25)37-39-18-19-48-37/h4,7,9-11,14-21,24,31,42,44H,3,5-6,8,12-13,22-23H2,1-2H3,(H,40,43)/b10-4+/t24-,31?/m0/s1 | 5 | |
| 1242 | 59 | 56 | | | 778.3425230400001 | COc1cc(C(CC(=O)N[C@@H](C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H50N4O12/c1-22-12-11-15-27(45)14-10-8-9-13-24-16-29(46)35(36(49)34(24)39(51)56-22)28(25-17-30(53-5)37(55-7)31(18-25)54-6)20-32(47)42-23(2)38(50)41-21-26-19-33(48)44(4)40(52)43(26)3/h9,13,16-19,22-23,28,46,49H,8,10-12,14-15,20-21H2,1-7H3,(H,41,50)(H,42,47)/b13-9+/t22-,23-,28?/m0/s1 | 4 | |
| 1243 | 49 | 46 | | | 629.2737152079999 | COc1ccc(C(CC(=O)NCC(=O)Nc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H39N3O8/c1-22-9-8-12-25(39)11-5-3-4-10-24-19-28(40)33(34(43)32(24)35(44)46-22)27(23-14-16-26(45-2)17-15-23)20-30(41)37-21-31(42)38-29-13-6-7-18-36-29/h4,6-7,10,13-19,22,27,40,43H,3,5,8-9,11-12,20-21H2,1-2H3,(H,37,41)(H,36,38,42)/b10-4+/t22-,27?/m0/s1 | 4 | |
| 1244 | 42 | 40 | | | 553.2675672079998 | COc1ccc(C(CC(=O)NCCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H39NO8/c1-20-8-6-11-23(34)10-5-3-4-9-22-18-26(35)29(30(37)28(22)31(38)40-20)25(19-27(36)32-16-7-17-33)21-12-14-24(39-2)15-13-21/h4,9,12-15,18,20,25,33,35,37H,3,5-8,10-11,16-17,19H2,1-2H3,(H,32,36)/b9-4+/t20-,25?/m0/s1 | 3 | |
| 1245 | 46 | 44 | | | 613.2886965759999 | COc1cc(C(CC(=O)NCCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H43NO10/c1-20-10-8-13-23(36)12-7-5-6-11-21-16-25(37)30(31(39)29(21)33(40)44-20)24(19-28(38)34-14-9-15-35)22-17-26(41-2)32(43-4)27(18-22)42-3/h6,11,16-18,20,24,35,37,39H,5,7-10,12-15,19H2,1-4H3,(H,34,38)/b11-6+/t20-,24?/m0/s1 | 3 | |
| 1246 | 47 | 44 | | | 600.28355162 | COc1ccc(C(CC(=O)NCCc2ccncc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H40N2O7/c1-23-7-6-10-27(38)9-5-3-4-8-26-21-30(39)33(34(41)32(26)35(42)44-23)29(25-11-13-28(43-2)14-12-25)22-31(40)37-20-17-24-15-18-36-19-16-24/h4,8,11-16,18-19,21,23,29,39,41H,3,5-7,9-10,17,20,22H2,1-2H3,(H,37,40)/b8-4+/t23-,29?/m0/s1 | 4 | |
| 1247 | 70 | 64 | | | 875.3993096440001 | COc1cc(C(CC(=O)NC(Cc2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C50H57N3O11/c1-30-13-11-18-36(54)17-10-6-9-16-33-23-40(55)46(47(58)45(33)50(60)64-30)37(34-24-41(61-2)48(63-4)42(25-34)62-3)26-43(56)51-38(22-31-14-7-5-8-15-31)49(59)52-27-32-21-35(29-52)39-19-12-20-44(57)53(39)28-32/h5,7-9,12,14-16,19-20,23-25,30,32,35,37-38,55,58H,6,10-11,13,17-18,21-22,26-29H2,1-4H3,(H,51,56)/b16-9+/t30-,32+,35-,37?,38?/m0/s1 | 7 | |
| 1248 | 65 | 60 | | | 817.39383034 | COc1cc(C(CC(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C48H55N3O9/c1-29-13-12-16-34(52)15-9-7-8-14-31-23-40(53)45(46(55)44(31)48(56)60-29)36(32-24-41(57-4)47(59-6)42(25-32)58-5)26-43(54)50-27-37(30-19-21-33(22-20-30)51(2)3)38-28-49-39-18-11-10-17-35(38)39/h8,10-11,14,17-25,28-29,36-37,49,53,55H,7,9,12-13,15-16,26-27H2,1-6H3,(H,50,54)/b14-8+/t29-,36?,37?/m0/s1 | 6 | |
| 1249 | 62 | 57 | | | 781.39383034 | COc1cc(C(CC(=O)NCC2(Cc3nc4ccccc4[nH]3)CCCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C45H55N3O9/c1-28-14-13-17-31(49)16-8-5-7-15-29-22-35(50)41(42(52)40(29)44(53)57-28)32(30-23-36(54-2)43(56-4)37(24-30)55-3)25-39(51)46-27-45(20-11-6-12-21-45)26-38-47-33-18-9-10-19-34(33)48-38/h7,9-10,15,18-19,22-24,28,32,50,52H,5-6,8,11-14,16-17,20-21,25-27H2,1-4H3,(H,46,51)(H,47,48)/b15-7+/t28-,32?/m0/s1 | 6 | |
| 1250 | 59 | 55 | | | 756.3370437359999 | COCc1n[nH]c(C(NC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)c2ccccc2)n1 | | InChI=1S/C41H48N4O10/c1-24-13-12-18-28(46)17-11-7-10-16-26-19-30(47)36(38(49)35(26)41(50)55-24)29(27-20-31(52-3)39(54-5)32(21-27)53-4)22-34(48)43-37(25-14-8-6-9-15-25)40-42-33(23-51-2)44-45-40/h6,8-10,14-16,19-21,24,29,37,47,49H,7,11-13,17-18,22-23H2,1-5H3,(H,43,48)(H,42,44,45)/b16-10+/t24-,29?,37?/m0/s1 | 5 | |
| 1251 | 59 | 56 | | | 778.3425230400001 | COc1cc(C(CC(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H50N4O12/c1-23-11-10-14-27(45)13-9-7-8-12-24-17-29(46)36(37(50)35(24)39(51)56-23)28(25-18-30(53-4)38(55-6)31(19-25)54-5)21-33(48)41-16-15-32(47)42-22-26-20-34(49)44(3)40(52)43(26)2/h8,12,17-20,23,28,46,50H,7,9-11,13-16,21-22H2,1-6H3,(H,41,48)(H,42,47)/b12-8+/t23-,28?/m0/s1 | 4 | |
| 1252 | 62 | 57 | | | 781.39383034 | COc1ccc(C(CC(=O)NC(CC(C)C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C45H55N3O9/c1-27(2)20-36(44(54)47-24-29-21-32(26-47)37-14-9-15-40(52)48(37)25-29)46-39(51)23-35(30-16-18-34(56-4)19-17-30)42-38(50)22-31-11-6-5-7-12-33(49)13-8-10-28(3)57-45(55)41(31)43(42)53/h6,9,11,14-19,22,27-29,32,35-36,50,53H,5,7-8,10,12-13,20-21,23-26H2,1-4H3,(H,46,51)/b11-6+/t28-,29+,32-,35?,36?/m0/s1 | 6 | |
| 1253 | 42 | 40 | | | 553.2675672079998 | COc1ccc(C(CC(=O)NC[C@@H](C)O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H39NO8/c1-19(33)18-32-27(36)17-25(21-12-14-24(39-3)15-13-21)29-26(35)16-22-9-5-4-6-10-23(34)11-7-8-20(2)40-31(38)28(22)30(29)37/h5,9,12-16,19-20,25,33,35,37H,4,6-8,10-11,17-18H2,1-3H3,(H,32,36)/b9-5+/t19-,20+,25?/m1/s1 | 3 | |
| 1254 | 54 | 51 | | | 704.294510228 | COc1ccc(C(CC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H44N2O11/c1-23-9-8-12-27(41)11-7-5-6-10-26-19-31(42)36(37(44)35(26)38(45)51-23)29(24-13-15-28(48-2)16-14-24)21-34(43)39-18-17-25-20-32(49-3)33(50-4)22-30(25)40(46)47/h6,10,13-16,19-20,22-23,29,42,44H,5,7-9,11-12,17-18,21H2,1-4H3,(H,39,43)/b10-6+/t23-,29?/m0/s1 | 4 | |
| 1255 | 62 | 57 | | | 782.3275416720002 | COc1cc(C(CC(=O)NCCn2ccc3c(cnc4nc(C)nn43)c2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H46N6O10/c1-23-10-9-13-27(48)12-8-6-7-11-25-18-31(49)36(37(51)35(25)40(53)57-23)28(26-19-32(54-3)38(56-5)33(20-26)55-4)21-34(50)42-15-17-46-16-14-30-29(39(46)52)22-43-41-44-24(2)45-47(30)41/h7,11,14,16,18-20,22-23,28,49,51H,6,8-10,12-13,15,17,21H2,1-5H3,(H,42,50)/b11-7+/t23-,28?/m0/s1 | 6 | |
| 1256 | 66 | 61 | | | 841.4149597080002 | COc1cc(C(CC(=O)NCCCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C47H59N3O11/c1-29-13-11-16-34(51)15-8-5-7-14-31-22-37(52)44(45(56)43(31)47(57)61-29)35(32-23-38(58-2)46(60-4)39(24-32)59-3)25-40(53)48-20-10-6-9-18-41(54)49-26-30-21-33(28-49)36-17-12-19-42(55)50(36)27-30/h7,12,14,17,19,22-24,29-30,33,35,52,56H,5-6,8-11,13,15-16,18,20-21,25-28H2,1-4H3,(H,48,53)/b14-7+/t29-,30+,33-,35?/m0/s1 | 6 | |
| 1257 | 61 | 57 | | | 786.34760842 | COCc1n[nH]c(C(NC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)c2ccc(OC)cc2)n1 | | InChI=1S/C42H50N4O11/c1-24-11-10-14-28(47)13-9-7-8-12-26-19-31(48)37(39(50)36(26)42(51)57-24)30(27-20-32(54-4)40(56-6)33(21-27)55-5)22-35(49)44-38(25-15-17-29(53-3)18-16-25)41-43-34(23-52-2)45-46-41/h8,12,15-21,24,30,38,48,50H,7,9-11,13-14,22-23H2,1-6H3,(H,44,49)(H,43,45,46)/b12-8+/t24-,30?,38?/m0/s1 | 5 | |
| 1258 | 58 | 54 | | | 742.3577791800002 | COc1cc(C(CC(=O)NCCCCCc2nnc3ccccn23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H50N4O9/c1-26-14-13-17-29(46)16-8-5-7-15-27-22-31(47)38(39(49)37(27)41(50)54-26)30(28-23-32(51-2)40(53-4)33(24-28)52-3)25-36(48)42-20-11-6-9-18-34-43-44-35-19-10-12-21-45(34)35/h7,10,12,15,19,21-24,26,30,47,49H,5-6,8-9,11,13-14,16-18,20,25H2,1-4H3,(H,42,48)/b15-7+/t26-,30?/m0/s1 | 5 | |
| 1259 | 62 | 57 | | | 785.3523594520001 | COc1cc(C(CC(=O)NCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H51N3O11/c1-25-10-8-13-30(47)12-7-5-6-11-27-17-33(48)40(41(52)39(27)43(53)57-25)31(28-18-34(54-2)42(56-4)35(19-28)55-3)20-36(49)44-21-38(51)45-22-26-16-29(24-45)32-14-9-15-37(50)46(32)23-26/h6,9,11,14-15,17-19,25-26,29,31,48,52H,5,7-8,10,12-13,16,20-24H2,1-4H3,(H,44,49)/b11-6+/t25-,26+,29-,31?/m0/s1 | 6 | |
| 1260 | 47 | 44 | | | 608.3097663679999 | COc1ccc(C(CC(=O)NCCN2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H44N2O8/c1-23-7-6-10-26(37)9-5-3-4-8-25-21-29(38)32(33(40)31(25)34(41)44-23)28(24-11-13-27(42-2)14-12-24)22-30(39)35-15-16-36-17-19-43-20-18-36/h4,8,11-14,21,23,28,38,40H,3,5-7,9-10,15-20,22H2,1-2H3,(H,35,39)/b8-4+/t23-,28?/m0/s1 | 4 | |
| 1261 | 64 | 59 | | | 813.3836595800001 | COc1cc(C(CC(=O)NCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C45H55N3O11/c1-27-11-8-14-32(49)13-7-5-6-12-29-20-35(50)42(43(54)41(29)45(55)59-27)33(30-21-36(56-2)44(58-4)37(22-30)57-3)23-38(51)46-18-10-17-39(52)47-24-28-19-31(26-47)34-15-9-16-40(53)48(34)25-28/h6,9,12,15-16,20-22,27-28,31,33,50,54H,5,7-8,10-11,13-14,17-19,23-26H2,1-4H3,(H,46,51)/b12-6+/t27-,28+,31-,33?/m0/s1 | 6 | |
| 1262 | 53 | 50 | | | 692.294510228 | COc1cc(C(CC(=O)NCC(=O)NCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H44N2O11/c1-22-10-8-13-25(40)12-7-5-6-11-23-16-28(41)34(35(44)33(23)37(45)50-22)27(24-17-29(46-2)36(48-4)30(18-24)47-3)19-31(42)39-21-32(43)38-20-26-14-9-15-49-26/h6,9,11,14-18,22,27,41,44H,5,7-8,10,12-13,19-21H2,1-4H3,(H,38,43)(H,39,42)/b11-6+/t22-,27?/m0/s1 | 4 | |
| 1263 | 59 | 54 | | | 739.3468801480001 | COc1ccc(C(CC(=O)N[C@@H](C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C42H49N3O9/c1-25-9-7-12-31(46)11-6-4-5-10-29-20-35(47)39(40(50)38(29)42(52)54-25)33(28-15-17-32(53-3)18-16-28)21-36(48)43-26(2)41(51)44-22-27-19-30(24-44)34-13-8-14-37(49)45(34)23-27/h5,8,10,13-18,20,25-27,30,33,47,50H,4,6-7,9,11-12,19,21-24H2,1-3H3,(H,43,48)/b10-5+/t25-,26-,27+,30-,33?/m0/s1 | 6 | |
| 1264 | 58 | 54 | | | 741.3261447040001 | COc1ccc(C(CC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H47N3O10/c1-24-10-9-13-28(45)12-8-6-7-11-27-20-33(46)38(39(48)37(27)41(50)54-24)30(26-14-16-29(51-3)17-15-26)22-36(47)42-18-19-44-25(2)43-32-23-35(53-5)34(52-4)21-31(32)40(44)49/h7,11,14-17,20-21,23-24,30,46,48H,6,8-10,12-13,18-19,22H2,1-5H3,(H,42,47)/b11-7+/t24-,30?/m0/s1 | 5 | |
| 1265 | 58 | 54 | | | 740.3421291160001 | COc1cc(C(CC(=O)NC2CCN(c3ncccc3C#N)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N4O9/c1-25-10-8-14-30(46)13-7-5-6-11-26-20-32(47)37(38(49)36(26)41(50)54-25)31(28-21-33(51-2)39(53-4)34(22-28)52-3)23-35(48)44-29-15-18-45(19-16-29)40-27(24-42)12-9-17-43-40/h6,9,11-12,17,20-22,25,29,31,47,49H,5,7-8,10,13-16,18-19,23H2,1-4H3,(H,44,48)/b11-6+/t25-,31?/m0/s1 | 5 | |
| 1266 | 53 | 50 | | | 716.297881356 | COc1cc(C(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H48N2O11S/c1-22-10-9-13-26(39)12-8-6-7-11-23-18-28(40)33(34(42)32(23)36(43)49-22)27(24-19-29(46-2)35(48-4)30(20-24)47-3)21-31(41)37-25-14-16-38(17-15-25)50(5,44)45/h7,11,18-20,22,25,27,40,42H,6,8-10,12-17,21H2,1-5H3,(H,37,41)/b11-7+/t22-,27?/m0/s1 | 4 | |
| 1267 | 51 | 47 | | | 638.2992016840001 | COc1ccc(C(CC(=O)NCCc2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H42N2O7/c1-24-9-8-12-28(41)11-5-3-4-10-26-21-33(42)36(37(44)35(26)38(45)47-24)31(25-15-17-29(46-2)18-16-25)22-34(43)39-20-19-27-23-40-32-14-7-6-13-30(27)32/h4,6-7,10,13-18,21,23-24,31,40,42,44H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,43)/b10-4+/t24-,31?/m0/s1 | 5 | |
| 1268 | 55 | 51 | | | 695.3206654 | CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C40H45N3O8/c1-24-10-9-13-28(44)12-6-4-5-11-26-21-34(45)37(38(47)36(26)40(49)51-24)31(25-16-18-29(50-3)19-17-25)22-35(46)43-33(39(48)41-2)20-27-23-42-32-15-8-7-14-30(27)32/h5,7-8,11,14-19,21,23-24,31,33,42,45,47H,4,6,9-10,12-13,20,22H2,1-3H3,(H,41,48)(H,43,46)/b11-5+/t24-,31?,33+/m0/s1 | 5 | |
| 1269 | 55 | 51 | | | 698.320331052 | COc1cc(C(CC(=O)NCCn2ccc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H46N2O9/c1-25-11-10-15-29(43)14-7-5-6-13-27-21-32(44)37(38(46)36(27)40(47)51-25)30(28-22-33(48-2)39(50-4)34(23-28)49-3)24-35(45)41-18-20-42-19-17-26-12-8-9-16-31(26)42/h6,8-9,12-13,16-17,19,21-23,25,30,44,46H,5,7,10-11,14-15,18,20,24H2,1-4H3,(H,41,45)/b13-6+/t25-,30?/m0/s1 | 5 | |
| 1270 | 62 | 57 | | | 781.3938303399999 | CCC(C)C(NC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 | | InChI=1S/C45H55N3O9/c1-5-27(2)42(44(54)47-24-29-21-32(26-47)36-15-10-16-39(52)48(36)25-29)46-38(51)23-35(30-17-19-34(56-4)20-18-30)41-37(50)22-31-12-7-6-8-13-33(49)14-9-11-28(3)57-45(55)40(31)43(41)53/h7,10,12,15-20,22,27-29,32,35,42,50,53H,5-6,8-9,11,13-14,21,23-26H2,1-4H3,(H,46,51)/b12-7+/t27?,28-,29+,32-,35?,42?/m0/s1 | 6 | |
| 1271 | 50 | 47 | | | 643.289365272 | COc1ccc(C(CC(=O)NCCNC(=O)c2ccncc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C36H41N3O8/c1-23-7-6-10-27(40)9-5-3-4-8-26-21-30(41)33(34(43)32(26)36(45)47-23)29(24-11-13-28(46-2)14-12-24)22-31(42)38-19-20-39-35(44)25-15-17-37-18-16-25/h4,8,11-18,21,23,29,41,43H,3,5-7,9-10,19-20,22H2,1-2H3,(H,38,42)(H,39,44)/b8-4+/t23-,29?/m0/s1 | 4 | |
| 1272 | 64 | 59 | | | 835.3349951360001 | COc1cc(C(CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H53N3O12S/c1-26-10-8-13-31(47)12-7-5-6-11-28-19-34(48)40(41(51)39(28)43(52)58-26)32(29-20-35(55-2)42(57-4)36(21-29)56-3)22-37(49)44-16-17-59(53,54)45-23-27-18-30(25-45)33-14-9-15-38(50)46(33)24-27/h6,9,11,14-15,19-21,26-27,30,32,48,51H,5,7-8,10,12-13,16-18,22-25H2,1-4H3,(H,44,49)/b11-6+/t26-,27+,30-,32?/m0/s1 | 6 | |
| 1273 | 54 | 51 | | | 701.2948445760001 | COc1cc(C(CC(=O)NCCOc2ncccc2C#N)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H43N3O10/c1-23-10-8-14-27(42)13-7-5-6-11-24-18-29(43)34(35(45)33(24)38(46)51-23)28(26-19-30(47-2)36(49-4)31(20-26)48-3)21-32(44)40-16-17-50-37-25(22-39)12-9-15-41-37/h6,9,11-12,15,18-20,23,28,43,45H,5,7-8,10,13-14,16-17,21H2,1-4H3,(H,40,44)/b11-6+/t23-,28?/m0/s1 | 4 | |
| 1274 | 66 | 61 | | | 841.414959708 | CCC(C)C(NC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 | | InChI=1S/C47H59N3O11/c1-7-27(2)43(46(56)49-24-29-19-32(26-49)35-17-12-18-40(54)50(35)25-29)48-39(53)23-34(31-21-37(58-4)45(60-6)38(22-31)59-5)42-36(52)20-30-14-9-8-10-15-33(51)16-11-13-28(3)61-47(57)41(30)44(42)55/h9,12,14,17-18,20-22,27-29,32,34,43,52,55H,7-8,10-11,13,15-16,19,23-26H2,1-6H3,(H,48,53)/b14-9+/t27?,28-,29+,32-,34?,43?/m0/s1 | 6 | |
| 1275 | 66 | 60 | | | 815.3781802760001 | COc1ccc(C(CC(=O)NC(Cc2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C48H53N3O9/c1-30-11-9-16-36(52)15-8-4-7-14-34-25-41(53)45(46(56)44(34)48(58)60-30)38(33-19-21-37(59-2)22-20-33)26-42(54)49-39(24-31-12-5-3-6-13-31)47(57)50-27-32-23-35(29-50)40-17-10-18-43(55)51(40)28-32/h3,5-7,10,12-14,17-22,25,30,32,35,38-39,53,56H,4,8-9,11,15-16,23-24,26-29H2,1-2H3,(H,49,54)/b14-7+/t30-,32+,35-,38?,39?/m0/s1 | 7 | |
| 1276 | 58 | 55 | | | 764.3632584840001 | COc1cc(C(CC(=O)NCCC(=O)NCCc2nc(C(C)C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H52N4O11/c1-23(2)39-43-34(55-44-39)16-18-41-32(47)15-17-42-33(48)22-28(26-20-30(51-4)38(53-6)31(21-26)52-5)36-29(46)19-25-12-8-7-9-13-27(45)14-10-11-24(3)54-40(50)35(25)37(36)49/h8,12,19-21,23-24,28,46,49H,7,9-11,13-18,22H2,1-6H3,(H,41,47)(H,42,48)/b12-8+/t24-,28?/m0/s1 | 4 | |
| 1277 | 63 | 58 | | | 796.3683438640002 | COc1cc(C(CC(=O)NC2CCN(Cc3nc(O)c4ccccc4n3)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C44H52N4O10/c1-26-11-10-14-30(49)13-7-5-6-12-27-21-34(50)40(41(52)39(27)44(54)58-26)32(28-22-35(55-2)42(57-4)36(23-28)56-3)24-38(51)45-29-17-19-48(20-18-29)25-37-46-33-16-9-8-15-31(33)43(53)47-37/h6,8-9,12,15-16,21-23,26,29,32,50,52H,5,7,10-11,13-14,17-20,24-25H2,1-4H3,(H,45,51)(H,46,47,53)/b12-6+/t26-,32?/m0/s1 | 6 | |
| 1278 | 51 | 48 | | | 666.3152456720001 | COc1cc(C(CC(=O)NCCN2CCCC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H46N2O10/c1-22-10-8-13-25(39)12-7-5-6-11-23-18-27(40)33(34(43)32(23)36(44)48-22)26(21-30(41)37-15-17-38-16-9-14-31(38)42)24-19-28(45-2)35(47-4)29(20-24)46-3/h6,11,18-20,22,26,40,43H,5,7-10,12-17,21H2,1-4H3,(H,37,41)/b11-6+/t22-,26?/m0/s1 | 4 | |
| 1279 | 63 | 58 | | | 797.38874496 | COc1cc(C(CC(=O)NC2CCN(C3CCc4ccccc4N=C3O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C45H55N3O10/c1-27-11-10-15-32(49)14-7-5-6-13-29-23-36(50)41(42(52)40(29)45(54)58-27)33(30-24-37(55-2)43(57-4)38(25-30)56-3)26-39(51)46-31-19-21-48(22-20-31)35-18-17-28-12-8-9-16-34(28)47-44(35)53/h6,8-9,12-13,16,23-25,27,31,33,35,50,52H,5,7,10-11,14-15,17-22,26H2,1-4H3,(H,46,51)(H,47,53)/b13-6+/t27-,33?,35?/m0/s1 | 6 | |
| 1280 | 56 | 52 | | | 713.331230084 | COc1cc(C(CC(=O)NCCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H47N3O9/c1-24-12-10-15-27(44)14-7-5-6-13-25-20-31(45)37(38(47)36(25)40(48)52-24)28(26-21-32(49-2)39(51-4)33(22-26)50-3)23-35(46)41-19-11-18-34-42-29-16-8-9-17-30(29)43-34/h6,8-9,13,16-17,20-22,24,28,45,47H,5,7,10-12,14-15,18-19,23H2,1-4H3,(H,41,46)(H,42,43)/b13-6+/t24-,28?/m0/s1 | 5 | |
| 1281 | 65 | 60 | | | 827.3993096440001 | COc1cc(C(CC(=O)NC(C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C46H57N3O11/c1-26(2)42(45(55)48-23-28-18-31(25-48)34-16-11-17-39(53)49(34)24-28)47-38(52)22-33(30-20-36(57-4)44(59-6)37(21-30)58-5)41-35(51)19-29-13-8-7-9-14-32(50)15-10-12-27(3)60-46(56)40(29)43(41)54/h8,11,13,16-17,19-21,26-28,31,33,42,51,54H,7,9-10,12,14-15,18,22-25H2,1-6H3,(H,47,52)/b13-8+/t27-,28+,31-,33?,42?/m0/s1 | 6 | |
| 1282 | 54 | 51 | | | 703.3104946400001 | COc1cc(C(CC(=O)NCCC(=O)Nc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45N3O10/c1-23-11-10-14-26(42)13-7-5-6-12-24-19-28(43)35(36(46)34(24)38(47)51-23)27(25-20-29(48-2)37(50-4)30(21-25)49-3)22-33(45)40-18-16-32(44)41-31-15-8-9-17-39-31/h6,8-9,12,15,17,19-21,23,27,43,46H,5,7,10-11,13-14,16,18,22H2,1-4H3,(H,40,45)(H,39,41,44)/b12-6+/t23-,27?/m0/s1 | 4 | |
| 1283 | 62 | 57 | | | 799.3502512760001 | COc1ccc(C(CC(=O)NC(CCSC)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C44H53N3O9S/c1-27-9-7-12-32(48)11-6-4-5-10-30-22-37(49)41(42(52)40(30)44(54)56-27)34(29-15-17-33(55-2)18-16-29)23-38(50)45-35(19-20-57-3)43(53)46-24-28-21-31(26-46)36-13-8-14-39(51)47(36)25-28/h5,8,10,13-18,22,27-28,31,34-35,49,52H,4,6-7,9,11-12,19-21,23-26H2,1-3H3,(H,45,50)/b10-5+/t27-,28+,31-,34?,35?/m0/s1 | 6 | |
| 1284 | 61 | 56 | | | 767.3781802760001 | COc1ccc(C(CC(=O)NC(C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C44H53N3O9/c1-26(2)41(43(53)46-23-28-20-31(25-46)35-14-9-15-38(51)47(35)24-28)45-37(50)22-34(29-16-18-33(55-4)19-17-29)40-36(49)21-30-11-6-5-7-12-32(48)13-8-10-27(3)56-44(54)39(30)42(40)52/h6,9,11,14-19,21,26-28,31,34,41,49,52H,5,7-8,10,12-13,20,22-25H2,1-4H3,(H,45,50)/b11-6+/t27-,28+,31-,34?,41?/m0/s1 | 6 | |
| 1285 | 61 | 57 | | | 785.4251304680001 | COc1cc(C(CC(=O)NCC(c2ccc(N(C)C)cc2)N2CCCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C45H59N3O9/c1-29-14-13-17-34(49)16-10-7-9-15-31-24-37(50)42(43(52)41(31)45(53)57-29)35(32-25-38(54-4)44(56-6)39(26-32)55-5)27-40(51)46-28-36(48-22-11-8-12-23-48)30-18-20-33(21-19-30)47(2)3/h9,15,18-21,24-26,29,35-36,50,52H,7-8,10-14,16-17,22-23,27-28H2,1-6H3,(H,46,51)/b15-9+/t29-,35?,36?/m0/s1 | 5 | |
| 1286 | 52 | 49 | | | 672.304680988 | COc1ccc(C(CC(=O)NCCC(=O)Nc2ccccc2OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H44N2O9/c1-24-10-9-13-27(41)12-6-4-5-11-26-22-31(42)36(37(45)35(26)38(46)49-24)29(25-16-18-28(47-2)19-17-25)23-34(44)39-21-20-33(43)40-30-14-7-8-15-32(30)48-3/h5,7-8,11,14-19,22,24,29,42,45H,4,6,9-10,12-13,20-21,23H2,1-3H3,(H,39,44)(H,40,43)/b11-5+/t24-,29?/m0/s1 | 4 | |
| 1287 | 54 | 50 | | | 684.304680988 | COc1cc(C(CC(=O)NCc2cccc3[nH]ccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H44N2O9/c1-23-10-8-14-27(42)13-7-5-6-11-24-18-31(43)36(37(45)35(24)39(46)50-23)29(26-19-32(47-2)38(49-4)33(20-26)48-3)21-34(44)41-22-25-12-9-15-30-28(25)16-17-40-30/h6,9,11-12,15-20,23,29,40,43,45H,5,7-8,10,13-14,21-22H2,1-4H3,(H,41,44)/b11-6+/t23-,29?/m0/s1 | 5 | |
| 1288 | 61 | 56 | | | 768.3734292440001 | COc1cc(C(CC(=O)NC2CCN(Cc3nc4ccccc4[nH]3)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H52N4O9/c1-26-11-10-14-30(48)13-7-5-6-12-27-21-34(49)40(41(51)39(27)43(52)56-26)31(28-22-35(53-2)42(55-4)36(23-28)54-3)24-38(50)44-29-17-19-47(20-18-29)25-37-45-32-15-8-9-16-33(32)46-37/h6,8-9,12,15-16,21-23,26,29,31,49,51H,5,7,10-11,13-14,17-20,24-25H2,1-4H3,(H,44,50)(H,45,46)/b12-6+/t26-,31?/m0/s1 | 6 | |
| 1289 | 54 | 50 | | | 685.299929956 | COc1cc(C(CC(=O)NCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H43N3O9/c1-22-11-10-14-25(42)13-7-5-6-12-23-17-29(43)35(36(45)34(23)38(46)50-22)26(24-18-30(47-2)37(49-4)31(19-24)48-3)20-33(44)39-21-32-40-27-15-8-9-16-28(27)41-32/h6,8-9,12,15-19,22,26,43,45H,5,7,10-11,13-14,20-21H2,1-4H3,(H,39,44)(H,40,41)/b12-6+/t22-,26?/m0/s1 | 5 | |
| 1290 | 62 | 57 | | | 781.39383034 | COc1ccc(C(CC(=O)NCCCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C45H55N3O9/c1-29-11-9-14-34(49)13-6-3-5-12-32-24-38(50)43(44(54)42(32)45(55)57-29)36(31-18-20-35(56-2)21-19-31)25-39(51)46-22-8-4-7-16-40(52)47-26-30-23-33(28-47)37-15-10-17-41(53)48(37)27-30/h5,10,12,15,17-21,24,29-30,33,36,50,54H,3-4,6-9,11,13-14,16,22-23,25-28H2,1-2H3,(H,46,51)/b12-5+/t29-,30+,33-,36?/m0/s1 | 6 | |
| 1291 | 57 | 53 | | | 728.3308957360001 | COc1cc(C(CC(=O)NCC(=O)N2CCc3ccccc3C2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N2O10/c1-25-11-10-16-30(44)15-7-5-6-13-27-19-32(45)38(39(48)37(27)41(49)53-25)31(29-20-33(50-2)40(52-4)34(21-29)51-3)22-35(46)42-23-36(47)43-18-17-26-12-8-9-14-28(26)24-43/h6,8-9,12-14,19-21,25,31,45,48H,5,7,10-11,15-18,22-24H2,1-4H3,(H,42,46)/b13-6+/t25-,31?/m0/s1 | 5 | |
| 1292 | 57 | 53 | | | 728.330895736 | COc1ccc2[nH]cc(CCNC(=O)CC(c3cc(OC)c(OC)c(OC)c3)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c2c1 | | InChI=1S/C41H48N2O10/c1-24-10-9-13-28(44)12-8-6-7-11-25-18-33(45)38(39(47)37(25)41(48)53-24)31(27-19-34(50-3)40(52-5)35(20-27)51-4)22-36(46)42-17-16-26-23-43-32-15-14-29(49-2)21-30(26)32/h7,11,14-15,18-21,23-24,31,43,45,47H,6,8-10,12-13,16-17,22H2,1-5H3,(H,42,46)/b11-7+/t24-,31?/m0/s1 | 5 | |
| 1293 | 46 | 43 | | | 593.298867336 | COc1ccc(C(CC(=O)N[C@H]2CC[C@H](O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H43NO8/c1-21-7-6-10-25(36)9-5-3-4-8-23-19-29(38)32(33(40)31(23)34(41)43-21)28(22-11-17-27(42-2)18-12-22)20-30(39)35-24-13-15-26(37)16-14-24/h4,8,11-12,17-19,21,24,26,28,37-38,40H,3,5-7,9-10,13-16,20H2,1-2H3,(H,35,39)/b8-4+/t21-,24-,26-,28?/m0/s1 | 4 | |
| 1294 | 55 | 52 | | | 716.3308957360001 | COc1cc(C(CC(=O)NCC(=O)NCCc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H48N2O10/c1-25-12-11-17-29(43)16-10-6-9-15-27-20-31(44)37(38(47)36(27)40(48)52-25)30(28-21-32(49-2)39(51-4)33(22-28)50-3)23-34(45)42-24-35(46)41-19-18-26-13-7-5-8-14-26/h5,7-9,13-15,20-22,25,30,44,47H,6,10-12,16-19,23-24H2,1-4H3,(H,41,46)(H,42,45)/b15-9+/t25-,30?/m0/s1 | 4 | |
| 1295 | 48 | 44 | | | 604.314851748 | COc1ccc(C(CC(=O)NC2CN3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H44N2O7/c1-22-7-6-10-26(38)9-5-3-4-8-25-19-30(39)33(34(41)32(25)35(42)44-22)28(23-11-13-27(43-2)14-12-23)20-31(40)36-29-21-37-17-15-24(29)16-18-37/h4,8,11-14,19,22,24,28-29,39,41H,3,5-7,9-10,15-18,20-21H2,1-2H3,(H,36,40)/b8-4+/t22-,28?,29?/m0/s1 | 6 | |
| 1296 | 60 | 55 | | | 775.3138657680001 | COc1ccc(C(CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H49N3O10S/c1-26-8-6-11-31(45)10-5-3-4-9-29-21-35(46)39(40(49)38(29)41(50)54-26)33(28-14-16-32(53-2)17-15-28)22-36(47)42-18-19-55(51,52)43-23-27-20-30(25-43)34-12-7-13-37(48)44(34)24-27/h4,7,9,12-17,21,26-27,30,33,46,49H,3,5-6,8,10-11,18-20,22-25H2,1-2H3,(H,42,47)/b9-4+/t26-,27+,30-,33?/m0/s1 | 6 | |
| 1297 | 46 | 43 | | | 591.269298524 | COc1ccc(C(CC(=O)NCc2n[nH]c(N)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H37N5O7/c1-18-7-6-10-21(37)9-5-3-4-8-20-15-24(38)28(29(40)27(20)30(41)43-18)23(19-11-13-22(42-2)14-12-19)16-26(39)33-17-25-34-31(32)36-35-25/h4,8,11-15,18,23,38,40H,3,5-7,9-10,16-17H2,1-2H3,(H,33,39)(H3,32,34,35,36)/b8-4+/t18-,23?/m0/s1 | 4 | |
| 1298 | 53 | 49 | | | 668.28461424 | COc1ccc(C(CC(=O)NCCc2nc(-c3cccnc3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H40N4O8/c1-23-8-6-12-27(42)11-5-3-4-9-25-20-30(43)34(35(45)33(25)37(46)48-23)29(24-13-15-28(47-2)16-14-24)21-31(44)39-19-17-32-40-36(41-49-32)26-10-7-18-38-22-26/h4,7,9-10,13-16,18,20,22-23,29,43,45H,3,5-6,8,11-12,17,19,21H2,1-2H3,(H,39,44)/b9-4+/t23-,29?/m0/s1 | 5 | |
| 1299 | 53 | 49 | | | 669.305015336 | COc1ccc(C(CC(=O)NCCn2c(CO)nc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H43N3O8/c1-24-9-8-12-27(43)11-5-3-4-10-26-21-32(44)36(37(46)35(26)38(47)49-24)29(25-15-17-28(48-2)18-16-25)22-34(45)39-19-20-41-31-14-7-6-13-30(31)40-33(41)23-42/h4,6-7,10,13-18,21,24,29,42,44,46H,3,5,8-9,11-12,19-20,22-23H2,1-2H3,(H,39,45)/b10-4+/t24-,29?/m0/s1 | 5 | |
| 1300 | 55 | 51 | | | 703.274109132 | COc1cc(C(CC(=O)NCc2nc(-c3ccco3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H41N3O11/c1-21-10-8-13-24(41)12-7-5-6-11-22-16-26(42)33(34(44)32(22)37(45)50-21)25(23-17-28(46-2)35(48-4)29(18-23)47-3)19-30(43)38-20-31-39-36(40-51-31)27-14-9-15-49-27/h6,9,11,14-18,21,25,42,44H,5,7-8,10,12-13,19-20H2,1-4H3,(H,38,43)/b11-6+/t21-,25?/m0/s1 | 5 | |
| 1301 | 55 | 51 | | | 699.3155800200001 | COc1cc(C(CC(=O)NCCn2cnc3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-24-11-10-14-27(43)13-7-5-6-12-25-19-31(44)36(37(46)35(25)39(47)51-24)28(26-20-32(48-2)38(50-4)33(21-26)49-3)22-34(45)40-17-18-42-23-41-29-15-8-9-16-30(29)42/h6,8-9,12,15-16,19-21,23-24,28,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,40,45)/b12-6+/t24-,28?/m0/s1 | 5 | |
| 1302 | 59 | 55 | | | 773.3346012120002 | COc1cc(C(CC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C42H51N3O9S/c1-25-13-12-16-28(46)15-9-7-8-14-26-21-33(47)38(39(49)37(26)42(50)54-25)29(27-22-34(51-3)40(53-5)35(23-27)52-4)24-36(48)43-31(19-20-55-6)41-44-30-17-10-11-18-32(30)45(41)2/h8,10-11,14,17-18,21-23,25,29,31,47,49H,7,9,12-13,15-16,19-20,24H2,1-6H3,(H,43,48)/b14-8+/t25-,29?,31-/m0/s1 | 5 | |
| 1303 | 57 | 53 | | | 728.3057436080001 | COc1cc(C(CC(=O)NCCc2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H44N4O10/c1-23-11-10-14-26(44)13-7-5-6-12-24-19-29(45)35(36(47)34(24)39(48)52-23)27(25-20-30(49-2)37(51-4)31(21-25)50-3)22-32(46)41-18-16-33-42-38(43-53-33)28-15-8-9-17-40-28/h6,8-9,12,15,17,19-21,23,27,45,47H,5,7,10-11,13-14,16,18,22H2,1-4H3,(H,41,46)/b12-6+/t23-,27?/m0/s1 | 5 | |
| 1304 | 53 | 50 | | | 695.3417947680001 | COc1cc(C(CC(=O)NC2CCN(CC(N)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H49N3O10/c1-22-9-8-12-26(41)11-7-5-6-10-23-17-28(42)34(35(45)33(23)37(46)50-22)27(24-18-29(47-2)36(49-4)30(19-24)48-3)20-32(44)39-25-13-15-40(16-14-25)21-31(38)43/h6,10,17-19,22,25,27,42,45H,5,7-9,11-16,20-21H2,1-4H3,(H2,38,43)(H,39,44)/b10-6+/t22-,27?/m0/s1 | 4 | |
| 1305 | 56 | 53 | | | 735.325476008 | COc1ccc(OCC(O)CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C40H49NO12/c1-24-10-9-13-27(42)12-8-6-7-11-25-18-32(44)37(38(46)36(25)40(47)53-24)31(26-19-33(49-3)39(51-5)34(20-26)50-4)21-35(45)41-22-28(43)23-52-30-16-14-29(48-2)15-17-30/h7,11,14-20,24,28,31,43-44,46H,6,8-10,12-13,21-23H2,1-5H3,(H,41,45)/b11-7+/t24-,28?,31?/m0/s1 | 4 | |
| 1306 | 62 | 57 | | | 788.3520251040001 | COc1cc(C(CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C43H52N2O12/c1-24-11-10-14-27(46)13-9-7-8-12-25-17-32(47)37(38(49)36(25)43(50)57-24)29(26-18-33(51-3)41(54-6)34(19-26)52-4)20-35(48)44-21-30-28-15-16-45(2)22-31(28)39(53-5)42-40(30)55-23-56-42/h8,12,17-19,24,29,47,49H,7,9-11,13-16,20-23H2,1-6H3,(H,44,48)/b12-8+/t24-,29?/m0/s1 | 6 | |
| 1307 | 58 | 54 | | | 741.3625302119998 | CC[C@H](C)[C@H](NC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1nc2ccccc2[nH]1 | | InChI=1S/C42H51N3O9/c1-7-24(2)38(41-43-30-18-11-12-19-31(30)44-41)45-35(48)23-29(27-21-33(51-4)40(53-6)34(22-27)52-5)37-32(47)20-26-15-9-8-10-16-28(46)17-13-14-25(3)54-42(50)36(26)39(37)49/h9,11-12,15,18-22,24-25,29,38,47,49H,7-8,10,13-14,16-17,23H2,1-6H3,(H,43,44)(H,45,48)/b15-9+/t24-,25-,29?,38-/m0/s1 | 5 | |
| 1308 | 52 | 49 | | | 675.30434664 | COc1cc(C(CC(=O)NCCc2ccc(O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H45NO10/c1-23-9-8-12-27(40)11-7-5-6-10-25-19-30(42)35(36(44)34(25)38(45)49-23)29(26-20-31(46-2)37(48-4)32(21-26)47-3)22-33(43)39-18-17-24-13-15-28(41)16-14-24/h6,10,13-16,19-21,23,29,41-42,44H,5,7-9,11-12,17-18,22H2,1-4H3,(H,39,43)/b10-6+/t23-,29?/m0/s1 | 4 | |
| 1309 | 51 | 48 | | | 659.3094320199999 | COc1ccc(C(CC(=O)NCCc2ccc(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H45NO9/c1-24-9-8-12-28(40)11-7-5-6-10-27-22-31(41)36(37(43)35(27)38(44)48-24)30(26-14-16-29(45-2)17-15-26)23-34(42)39-20-19-25-13-18-32(46-3)33(21-25)47-4/h6,10,13-18,21-22,24,30,41,43H,5,7-9,11-12,19-20,23H2,1-4H3,(H,39,42)/b10-6+/t24-,30?/m0/s1 | 4 | |
| 1310 | 41 | 39 | | | 533.2413524599999 | C#CCNC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C31H35NO7/c1-4-17-32-27(35)19-25(21-13-15-24(38-3)16-14-21)29-26(34)18-22-10-6-5-7-11-23(33)12-8-9-20(2)39-31(37)28(22)30(29)36/h1,6,10,13-16,18,20,25,34,36H,5,7-9,11-12,17,19H2,2-3H3,(H,32,35)/b10-6+/t20-,25?/m0/s1 | 3 | |
| 1311 | 50 | 47 | | | 714.190040928 | COc1cc(C(CC(=O)NCc2nc(Br)n[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H39BrN4O9/c1-18-9-8-12-21(39)11-7-5-6-10-19-13-23(40)29(30(42)28(19)32(43)47-18)22(16-27(41)35-17-26-36-33(34)38-37-26)20-14-24(44-2)31(46-4)25(15-20)45-3/h6,10,13-15,18,22,40,42H,5,7-9,11-12,16-17H2,1-4H3,(H,35,41)(H,36,37,38)/b10-6+/t18-,22?/m0/s1 | 4 | |
| 1312 | 50 | 47 | | | 649.299929956 | COc1cc(C(CC(=O)NCCc2c[nH]cn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H43N3O9/c1-21-9-8-12-25(39)11-7-5-6-10-22-15-27(40)32(33(42)31(22)35(43)47-21)26(18-30(41)37-14-13-24-19-36-20-38-24)23-16-28(44-2)34(46-4)29(17-23)45-3/h6,10,15-17,19-21,26,40,42H,5,7-9,11-14,18H2,1-4H3,(H,36,38)(H,37,41)/b10-6+/t21-,26?/m0/s1 | 4 | |
| 1313 | 52 | 49 | | | 673.325082084 | COc1cc(C(CC(=O)NCCCc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H47NO9/c1-25-13-11-19-29(41)18-10-6-9-17-27-21-31(42)36(37(44)35(27)39(45)49-25)30(28-22-32(46-2)38(48-4)33(23-28)47-3)24-34(43)40-20-12-16-26-14-7-5-8-15-26/h5,7-9,14-15,17,21-23,25,30,42,44H,6,10-13,16,18-20,24H2,1-4H3,(H,40,43)/b17-9+/t25-,30?/m0/s1 | 4 | |
| 1314 | 54 | 50 | | | 684.304680988 | COc1ccc(C(CC(=O)NCCC2C(=O)Nc3ccc(OC)cc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H44N2O9/c1-23-8-7-11-26(42)10-6-4-5-9-25-20-33(43)36(37(45)35(25)39(47)50-23)30(24-12-14-27(48-2)15-13-24)22-34(44)40-19-18-29-31-21-28(49-3)16-17-32(31)41-38(29)46/h5,9,12-17,20-21,23,29-30,43,45H,4,6-8,10-11,18-19,22H2,1-3H3,(H,40,44)(H,41,46)/b9-5+/t23-,29?,30?/m0/s1 | 5 | |
| 1315 | 51 | 48 | | | 689.2505968159999 | COc1cc(C(CC(=O)NC2CS(=O)(=O)CC2O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C34H43NO12S/c1-19-9-8-12-22(36)11-7-5-6-10-20-13-25(37)31(32(40)30(20)34(41)47-19)23(16-29(39)35-24-17-48(42,43)18-26(24)38)21-14-27(44-2)33(46-4)28(15-21)45-3/h6,10,13-15,19,23-24,26,37-38,40H,5,7-9,11-12,16-18H2,1-4H3,(H,35,39)/b10-6+/t19-,23?,24?,26?/m0/s1 | 4 | |
| 1316 | 55 | 51 | | | 698.320331052 | COc1cc(C(CC(=O)NCCc2c[nH]c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H46N2O9/c1-24-11-10-14-28(43)13-7-5-6-12-25-19-32(44)37(38(46)36(25)40(47)51-24)30(27-20-33(48-2)39(50-4)34(21-27)49-3)22-35(45)41-18-17-26-23-42-31-16-9-8-15-29(26)31/h6,8-9,12,15-16,19-21,23-24,30,42,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,41,45)/b12-6+/t24-,30?/m0/s1 | 5 | |
| 1317 | 60 | 56 | | | 788.3091147360001 | COc1cc(C(CC(=O)NC(CCSC)c2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N4O10S/c1-24-12-11-15-27(46)14-8-6-7-13-25-20-31(47)36(37(49)35(25)41(50)54-24)28(26-21-32(51-2)38(53-4)33(22-26)52-3)23-34(48)43-30(17-19-56-5)40-44-39(45-55-40)29-16-9-10-18-42-29/h7,9-10,13,16,18,20-22,24,28,30,47,49H,6,8,11-12,14-15,17,19,23H2,1-5H3,(H,43,48)/b13-7+/t24-,28?,30?/m0/s1 | 5 | |
| 1318 | 47 | 44 | | | 600.28355162 | COc1ccc(C(CC(=O)NCCc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H40N2O7/c1-23-9-8-13-27(38)12-5-3-4-10-25-21-30(39)33(34(41)32(25)35(42)44-23)29(24-14-16-28(43-2)17-15-24)22-31(40)37-20-18-26-11-6-7-19-36-26/h4,6-7,10-11,14-17,19,21,23,29,39,41H,3,5,8-9,12-13,18,20,22H2,1-2H3,(H,37,40)/b10-4+/t23-,29?/m0/s1 | 4 | |
| 1319 | 55 | 52 | | | 718.3213936720001 | COc1ccc(C(CC(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H46N4O10/c1-23-9-8-12-27(43)11-7-5-6-10-25-19-30(44)35(36(48)34(25)37(49)52-23)29(24-13-15-28(51-4)16-14-24)21-32(46)39-18-17-31(45)40-22-26-20-33(47)42(3)38(50)41(26)2/h6,10,13-16,19-20,23,29,44,48H,5,7-9,11-12,17-18,21-22H2,1-4H3,(H,39,46)(H,40,45)/b10-6+/t23-,29?/m0/s1 | 4 | |
| 1320 | 52 | 48 | | | 653.310100716 | COc1ccc(C(CC(=O)NCCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H43N3O7/c1-24-10-8-13-27(42)12-5-3-4-11-26-22-32(43)36(37(45)35(26)38(46)48-24)29(25-17-19-28(47-2)20-18-25)23-34(44)39-21-9-16-33-40-30-14-6-7-15-31(30)41-33/h4,6-7,11,14-15,17-20,22,24,29,43,45H,3,5,8-10,12-13,16,21,23H2,1-2H3,(H,39,44)(H,40,41)/b11-4+/t24-,29?/m0/s1 | 5 | |
| 1321 | 56 | 52 | | | 714.3152456720001 | COc1cc(C(CC(=O)NC2CCc3ccccc3N=C2O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H46N2O10/c1-23-11-10-15-27(43)14-7-5-6-13-25-19-31(44)36(37(46)35(25)40(48)52-23)28(26-20-32(49-2)38(51-4)33(21-26)50-3)22-34(45)41-30-18-17-24-12-8-9-16-29(24)42-39(30)47/h6,8-9,12-13,16,19-21,23,28,30,44,46H,5,7,10-11,14-15,17-18,22H2,1-4H3,(H,41,45)(H,42,47)/b13-6+/t23-,28?,30?/m0/s1 | 5 | |
| 1322 | 58 | 54 | | | 743.30540926 | COc1cc(C(CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H45N3O11/c1-23-11-10-14-26(44)13-7-5-6-12-24-19-30(45)35(36(47)34(24)40(50)54-23)27(25-20-31(51-2)37(53-4)32(21-25)52-3)22-33(46)41-17-18-43-29-16-9-8-15-28(29)42-38(48)39(43)49/h6,8-9,12,15-16,19-21,23,27,45,47H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,41,46)(H,42,48)/b12-6+/t23-,27?/m0/s1 | 5 | |
| 1323 | 55 | 52 | | | 717.3261447040001 | COc1cc(C(CC(=O)NCCCC(=O)Nc2cccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H47N3O10/c1-24-11-8-15-28(43)14-7-5-6-12-25-19-30(44)36(37(47)35(25)39(48)52-24)29(26-20-31(49-2)38(51-4)32(21-26)50-3)22-34(46)41-18-10-16-33(45)42-27-13-9-17-40-23-27/h6,9,12-13,17,19-21,23-24,29,44,47H,5,7-8,10-11,14-16,18,22H2,1-4H3,(H,41,46)(H,42,45)/b12-6+/t24-,29?/m0/s1 | 4 | |
| 1324 | 55 | 51 | | | 699.3155800200001 | COc1cc(C(CC(=O)NCCc2cn3ccccc3n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-24-11-10-14-28(43)13-7-5-6-12-25-19-30(44)36(37(46)35(25)39(47)51-24)29(26-20-31(48-2)38(50-4)32(21-26)49-3)22-34(45)40-17-16-27-23-42-18-9-8-15-33(42)41-27/h6,8-9,12,15,18-21,23-24,29,44,46H,5,7,10-11,13-14,16-17,22H2,1-4H3,(H,40,45)/b12-6+/t24-,29?/m0/s1 | 5 | |
| 1325 | 52 | 48 | | | 654.294116304 | COc1ccc(C(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H42N2O8/c1-23-7-6-10-27(41)9-5-3-4-8-25-19-33(43)36(37(45)35(25)38(46)48-23)31(24-11-14-29(47-2)15-12-24)21-34(44)39-18-17-26-22-40-32-16-13-28(42)20-30(26)32/h4,8,11-16,19-20,22-23,31,40,42-43,45H,3,5-7,9-10,17-18,21H2,1-2H3,(H,39,44)/b8-4+/t23-,31?/m0/s1 | 5 | |
| 1326 | 46 | 44 | | | 608.3097663679999 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(N)=O | | InChI=1S/C34H44N2O8/c1-5-20(2)31(33(35)41)36-28(39)19-26(22-14-16-25(43-4)17-15-22)30-27(38)18-23-11-7-6-8-12-24(37)13-9-10-21(3)44-34(42)29(23)32(30)40/h7,11,14-18,20-21,26,31,38,40H,5-6,8-10,12-13,19H2,1-4H3,(H2,35,41)(H,36,39)/b11-7+/t20-,21-,26?,31-/m0/s1 | 3 | |
| 1327 | 53 | 50 | | | 689.2948445760001 | COc1cc(C(CC(=O)NCC(=O)Nc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H43N3O10/c1-22-11-10-14-25(41)13-7-5-6-12-23-17-27(42)34(35(45)33(23)37(46)50-22)26(24-18-28(47-2)36(49-4)29(19-24)48-3)20-31(43)39-21-32(44)40-30-15-8-9-16-38-30/h6,8-9,12,15-19,22,26,42,45H,5,7,10-11,13-14,20-21H2,1-4H3,(H,39,43)(H,38,40,44)/b12-6+/t22-,26?/m0/s1 | 4 | |
| 1328 | 44 | 42 | | | 583.2781318919999 | COc1ccc(C(CC(=O)NCC(OC)OC)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C32H41NO9/c1-20-9-8-12-23(34)11-7-5-6-10-22-17-26(35)30(31(37)29(22)32(38)42-20)25(21-13-15-24(39-2)16-14-21)18-27(36)33-19-28(40-3)41-4/h6,10,13-17,20,25,28,35,37H,5,7-9,11-12,18-19H2,1-4H3,(H,33,36)/b10-6+/t20-,25?/m0/s1 | 3 | |
| 1329 | 47 | 45 | | | 626.2839455440001 | COc1cc(C(CC(=O)N[C@@H](C)C(N)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C33H42N2O10/c1-18-10-9-13-22(36)12-8-6-7-11-20-14-24(37)29(30(39)28(20)33(41)45-18)23(17-27(38)35-19(2)32(34)40)21-15-25(42-3)31(44-5)26(16-21)43-4/h7,11,14-16,18-19,23,37,39H,6,8-10,12-13,17H2,1-5H3,(H2,34,40)(H,35,38)/b11-7+/t18-,19-,23?/m0/s1 | 3 | |
| 1330 | 50 | 47 | | | 646.289030924 | COc1cc(C(CC(=O)NCc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H42N2O9/c1-22-11-10-15-26(39)14-7-5-6-12-23-17-28(40)33(34(42)32(23)36(43)47-22)27(20-31(41)38-21-25-13-8-9-16-37-25)24-18-29(44-2)35(46-4)30(19-24)45-3/h6,8-9,12-13,16-19,22,27,40,42H,5,7,10-11,14-15,20-21H2,1-4H3,(H,38,41)/b12-6+/t22-,27?/m0/s1 | 4 | |
| 1331 | 45 | 43 | | | 594.257730796 | COc1cc(C(CC(=O)NCC#N)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C32H38N2O9/c1-19-9-8-12-22(35)11-7-5-6-10-20-15-24(36)29(30(38)28(20)32(39)43-19)23(18-27(37)34-14-13-33)21-16-25(40-2)31(42-4)26(17-21)41-3/h6,10,15-17,19,23,36,38H,5,7-9,11-12,14,18H2,1-4H3,(H,34,37)/b10-6+/t19-,23?/m0/s1 | 3 | |
| 1332 | 58 | 54 | | | 743.30540926 | COc1cc(C(CC(=O)NCCc2nnc(-c3ccccc3O)o2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H45N3O11/c1-23-11-10-14-26(44)13-7-5-6-12-24-19-30(46)36(37(48)35(24)40(49)53-23)28(25-20-31(50-2)38(52-4)32(21-25)51-3)22-33(47)41-18-17-34-42-43-39(54-34)27-15-8-9-16-29(27)45/h6,8-9,12,15-16,19-21,23,28,45-46,48H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,41,47)/b12-6+/t23-,28?/m0/s1 | 5 | |
| 1333 | 53 | 49 | | | 668.309766368 | COc1ccc(C(CC(=O)NCC(=O)N2CCc3ccccc3C2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H44N2O8/c1-25-9-8-14-30(42)13-5-3-4-11-28-21-33(43)37(38(46)36(28)39(47)49-25)32(27-15-17-31(48-2)18-16-27)22-34(44)40-23-35(45)41-20-19-26-10-6-7-12-29(26)24-41/h4,6-7,10-12,15-18,21,25,32,43,46H,3,5,8-9,13-14,19-20,22-24H2,1-2H3,(H,40,44)/b11-4+/t25-,32?/m0/s1 | 5 | |
| 1334 | 52 | 48 | | | 664.335981116 | COc1cc(C(CC(=O)NC2CN3CCC2CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H48N2O9/c1-22-9-8-12-26(40)11-7-5-6-10-24-17-29(41)34(35(43)33(24)37(44)48-22)27(25-18-30(45-2)36(47-4)31(19-25)46-3)20-32(42)38-28-21-39-15-13-23(28)14-16-39/h6,10,17-19,22-23,27-28,41,43H,5,7-9,11-16,20-21H2,1-4H3,(H,38,42)/b10-6+/t22-,27?,28?/m0/s1 | 6 | |
| 1335 | 56 | 53 | | | 731.30540926 | COc1cc(C(CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O11/c1-22-9-8-12-27(43)11-7-5-6-10-24-17-29(44)35(36(47)34(24)39(49)53-22)28(25-18-30(50-2)37(52-4)31(19-25)51-3)20-32(45)41-21-33(46)42-26-15-13-23(14-16-26)38(40)48/h6,10,13-19,22,28,44,47H,5,7-9,11-12,20-21H2,1-4H3,(H2,40,48)(H,41,45)(H,42,46)/b10-6+/t22-,28?/m0/s1 | 4 | |
| 1336 | 52 | 49 | | | 671.2842798920001 | COc1ccc(C(CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H41N3O9/c1-22-7-6-10-27(41)9-5-3-4-8-25-19-30(42)34(35(45)33(25)37(47)49-22)29(23-13-17-28(48-2)18-14-23)20-31(43)39-21-32(44)40-26-15-11-24(12-16-26)36(38)46/h4,8,11-19,22,29,42,45H,3,5-7,9-10,20-21H2,1-2H3,(H2,38,46)(H,39,43)(H,40,44)/b8-4+/t22-,29?/m0/s1 | 4 | |
| 1337 | 55 | 51 | | | 699.3155800200001 | COc1cc(C(CC(=O)NCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C39H45N3O9/c1-23-11-10-14-26(43)13-7-5-6-12-24-19-30(44)36(37(46)35(24)39(47)51-23)27(25-20-31(48-2)38(50-4)32(21-25)49-3)22-34(45)40-18-17-33-41-28-15-8-9-16-29(28)42-33/h6,8-9,12,15-16,19-21,23,27,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,40,45)(H,41,42)/b12-6+/t23-,27?/m0/s1 | 5 | |
| 1338 | 41 | 39 | | | 539.2519171439999 | COc1ccc(C(CC(=O)NCCO)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C30H37NO8/c1-19-7-6-10-22(33)9-5-3-4-8-21-17-25(34)28(29(36)27(21)30(37)39-19)24(18-26(35)31-15-16-32)20-11-13-23(38-2)14-12-20/h4,8,11-14,17,19,24,32,34,36H,3,5-7,9-10,15-16,18H2,1-2H3,(H,31,35)/b8-4+/t19-,24?/m0/s1 | 3 | |
| 1339 | 62 | 57 | | | 782.3890793080002 | COc1cc(C(CC(=O)NCC2(Cc3nnc4ccccn34)CCCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C44H54N4O9/c1-28-14-13-17-31(49)16-8-5-7-15-29-22-33(50)40(41(52)39(29)43(53)57-28)32(30-23-34(54-2)42(56-4)35(24-30)55-3)25-38(51)45-27-44(19-10-6-11-20-44)26-37-47-46-36-18-9-12-21-48(36)37/h7,9,12,15,18,21-24,28,32,50,52H,5-6,8,10-11,13-14,16-17,19-20,25-27H2,1-4H3,(H,45,51)/b15-7+/t28-,32?/m0/s1 | 6 | |
| 1340 | 51 | 48 | | | 660.304680988 | COc1cc(C(CC(=O)NCCc2ccccn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C37H44N2O9/c1-23-11-10-15-27(40)14-7-5-6-12-24-19-29(41)34(35(43)33(24)37(44)48-23)28(22-32(42)39-18-16-26-13-8-9-17-38-26)25-20-30(45-2)36(47-4)31(21-25)46-3/h6,8-9,12-13,17,19-21,23,28,41,43H,5,7,10-11,14-16,18,22H2,1-4H3,(H,39,42)/b12-6+/t23-,28?/m0/s1 | 4 | |
| 1341 | 54 | 50 | | | 699.2614362720001 | COc1ccc(C(CC(=O)NCCNC(=O)c2nc3ccccc3s2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H41N3O8S/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-30(43)34(35(45)33(25)38(47)49-23)28(24-15-17-27(48-2)18-16-24)22-32(44)39-19-20-40-36(46)37-41-29-13-6-7-14-31(29)50-37/h4,6-7,10,13-18,21,23,28,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)(H,40,46)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 1342 | 66 | 61 | | | 841.4149597080002 | COc1cc(C(CC(=O)NC(CC(C)C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C47H59N3O11/c1-27(2)18-35(46(56)49-24-29-19-32(26-49)36-16-11-17-41(54)50(36)25-29)48-40(53)23-34(31-21-38(58-4)45(60-6)39(22-31)59-5)43-37(52)20-30-13-8-7-9-14-33(51)15-10-12-28(3)61-47(57)42(30)44(43)55/h8,11,13,16-17,20-22,27-29,32,34-35,52,55H,7,9-10,12,14-15,18-19,23-26H2,1-6H3,(H,48,53)/b13-8+/t28-,29+,32-,34?,35?/m0/s1 | 6 | |
| 1343 | 58 | 54 | | | 742.3465458000001 | COc1ccc2c(ccn2CCCNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)c1 | | InChI=1S/C42H50N2O10/c1-26-11-9-14-30(45)13-8-6-7-12-28-22-34(46)39(40(48)38(28)42(49)54-26)32(29-23-35(51-3)41(53-5)36(24-29)52-4)25-37(47)43-18-10-19-44-20-17-27-21-31(50-2)15-16-33(27)44/h7,12,15-17,20-24,26,32,46,48H,6,8-11,13-14,18-19,25H2,1-5H3,(H,43,47)/b12-7+/t26-,32?/m0/s1 | 5 | |
| 1344 | 51 | 47 | | | 646.3618019400001 | COc1ccc(C(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H50N2O7/c1-25-10-8-14-29(41)13-5-3-4-11-27-22-33(42)36(37(44)35(27)38(45)47-25)31(26-16-18-30(46-2)19-17-26)23-34(43)39-24-28-12-9-21-40-20-7-6-15-32(28)40/h4,11,16-19,22,25,28,31-32,42,44H,3,5-10,12-15,20-21,23-24H2,1-2H3,(H,39,43)/b11-4+/t25-,28-,31?,32+/m0/s1 | 5 | |
| 1345 | 58 | 53 | | | 728.3308957359999 | COc1ccc(C(CC(=O)NCC2c3c(cc4c(c3OC)OCO4)CCN2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H48N2O10/c1-24-9-8-12-28(44)11-7-5-6-10-26-19-32(45)37(38(47)36(26)41(48)53-24)30(25-13-15-29(49-3)16-14-25)21-34(46)42-22-31-35-27(17-18-43(31)2)20-33-39(40(35)50-4)52-23-51-33/h6,10,13-16,19-20,24,30-31,45,47H,5,7-9,11-12,17-18,21-23H2,1-4H3,(H,42,46)/b10-6+/t24-,30?,31?/m0/s1 | 6 | |
| 1346 | 49 | 46 | | | 635.273046512 | COc1cc(C(CC(=O)NCc2ccco2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C35H41NO10/c1-21-10-8-13-24(37)12-7-5-6-11-22-16-27(38)32(33(40)31(22)35(41)46-21)26(19-30(39)36-20-25-14-9-15-45-25)23-17-28(42-2)34(44-4)29(18-23)43-3/h6,9,11,14-18,21,26,38,40H,5,7-8,10,12-13,19-20H2,1-4H3,(H,36,39)/b11-6+/t21-,26?/m0/s1 | 4 | |
| 1347 | 53 | 50 | | | 696.362195864 | COc1cc(C(CC(=O)NCC(C)(C)N2CCOCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C38H52N2O10/c1-24-11-10-14-27(41)13-9-7-8-12-25-19-29(42)34(35(44)33(25)37(45)50-24)28(26-20-30(46-4)36(48-6)31(21-26)47-5)22-32(43)39-23-38(2,3)40-15-17-49-18-16-40/h8,12,19-21,24,28,42,44H,7,9-11,13-18,22-23H2,1-6H3,(H,39,43)/b12-8+/t24-,28?/m0/s1 | 4 | |
| 1348 | 56 | 52 | | | 712.335981116 | COc1cc(C(CC(=O)NCCc2cn(C)c3ccccc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N2O9/c1-25-12-11-15-29(44)14-8-6-7-13-26-20-33(45)38(39(47)37(26)41(48)52-25)31(28-21-34(49-3)40(51-5)35(22-28)50-4)23-36(46)42-19-18-27-24-43(2)32-17-10-9-16-30(27)32/h7,9-10,13,16-17,20-22,24-25,31,45,47H,6,8,11-12,14-15,18-19,23H2,1-5H3,(H,42,46)/b13-7+/t25-,31?/m0/s1 | 5 | |
| 1349 | 58 | 54 | | | 744.325810356 | COc1ccc2c(c1)C(CCNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc3c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)C(=O)N2 | | InChI=1S/C41H48N2O11/c1-23-10-9-13-26(44)12-8-6-7-11-24-18-32(45)37(38(47)36(24)41(49)54-23)29(25-19-33(51-3)39(53-5)34(20-25)52-4)22-35(46)42-17-16-28-30-21-27(50-2)14-15-31(30)43-40(28)48/h7,11,14-15,18-21,23,28-29,45,47H,6,8-10,12-13,16-17,22H2,1-5H3,(H,42,46)(H,43,48)/b11-7+/t23-,28?,29?/m0/s1 | 5 | |
| 1350 | 49 | 46 | | | 629.298867336 | COc1ccc(C(CC(=O)N[C@@H](CO)Cc2ccccc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H43NO8/c1-24-10-9-15-29(40)14-8-4-7-13-27-21-32(41)35(36(43)34(27)37(44)46-24)31(26-16-18-30(45-2)19-17-26)22-33(42)38-28(23-39)20-25-11-5-3-6-12-25/h3,5-7,11-13,16-19,21,24,28,31,39,41,43H,4,8-10,14-15,20,22-23H2,1-2H3,(H,38,42)/b13-7+/t24-,28+,31?/m0/s1 | 4 | |
| 1351 | 53 | 50 | | | 689.3199967039999 | COc1ccc(CCNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H47NO10/c1-24-10-9-13-28(41)12-8-6-7-11-26-20-31(42)36(37(44)35(26)39(45)50-24)30(27-21-32(47-3)38(49-5)33(22-27)48-4)23-34(43)40-19-18-25-14-16-29(46-2)17-15-25/h7,11,14-17,20-22,24,30,42,44H,6,8-10,12-13,18-19,23H2,1-5H3,(H,40,43)/b11-7+/t24-,30?/m0/s1 | 4 | |
| 1352 | 49 | 46 | | | 635.3206653999999 | COc1ccc(C(CC(=O)NC2CCN(CC(N)=O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H45N3O8/c1-22-7-6-10-26(39)9-5-3-4-8-24-19-29(40)33(34(43)32(24)35(44)46-22)28(23-11-13-27(45-2)14-12-23)20-31(42)37-25-15-17-38(18-16-25)21-30(36)41/h4,8,11-14,19,22,25,28,40,43H,3,5-7,9-10,15-18,20-21H2,1-2H3,(H2,36,41)(H,37,42)/b8-4+/t22-,28?/m0/s1 | 4 | |
| 1353 | 51 | 48 | | | 663.3155800200001 | COc1cc(C(CC(=O)NCCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H45N3O9/c1-23-10-8-13-26(40)12-7-5-6-11-24-18-28(41)33(34(43)32(24)36(44)48-23)27(21-31(42)38-14-9-16-39-17-15-37-22-39)25-19-29(45-2)35(47-4)30(20-25)46-3/h6,11,15,17-20,22-23,27,41,43H,5,7-10,12-14,16,21H2,1-4H3,(H,38,42)/b11-6+/t23-,27?/m0/s1 | 4 | |
| 1354 | 59 | 55 | | | 773.2982157040001 | COc1ccc(C(CC(=O)NCCSCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H47N3O10S/c1-24-9-8-12-27(45)11-7-5-6-10-26-19-32(46)38(39(48)37(26)41(50)54-24)29(25-13-15-28(51-2)16-14-25)21-36(47)42-17-18-55-23-35-43-31-22-34(53-4)33(52-3)20-30(31)40(49)44-35/h6,10,13-16,19-20,22,24,29,46,48H,5,7-9,11-12,17-18,21,23H2,1-4H3,(H,42,47)(H,43,44,49)/b10-6+/t24-,29?/m0/s1 | 5 | |
| 1355 | 56 | 53 | | | 732.3621958639999 | COc1ccc(C(CNC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)N(C)C)cc1 | | InChI=1S/C41H52N2O10/c1-25-12-11-15-29(44)14-10-8-9-13-27-20-33(45)38(39(47)37(27)41(48)53-25)31(28-21-34(50-5)40(52-7)35(22-28)51-6)23-36(46)42-24-32(43(2)3)26-16-18-30(49-4)19-17-26/h9,13,16-22,25,31-32,45,47H,8,10-12,14-15,23-24H2,1-7H3,(H,42,46)/b13-9+/t25-,31?,32?/m0/s1 | 4 | |
| 1356 | 53 | 50 | | | 691.285342512 | COc1ccc(C(CC(=O)NCCNC(=O)Cn2cc([N+](=O)[O-])cn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H41N5O10/c1-22-7-6-10-26(41)9-5-3-4-8-24-17-29(42)33(34(45)32(24)35(46)50-22)28(23-11-13-27(49-2)14-12-23)18-30(43)36-15-16-37-31(44)21-39-20-25(19-38-39)40(47)48/h4,8,11-14,17,19-20,22,28,42,45H,3,5-7,9-10,15-16,18,21H2,1-2H3,(H,36,43)(H,37,44)/b8-4+/t22-,28?/m0/s1 | 4 | |
| 1357 | 52 | 48 | | | 657.268629828 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCC(=O)Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39N3O9/c1-22-8-7-11-25(40)10-4-2-3-9-24-18-27(41)34(35(44)33(24)36(45)48-22)26(23-13-14-28-29(19-23)47-21-46-28)20-32(43)38-17-15-31(42)39-30-12-5-6-16-37-30/h3,5-6,9,12-14,16,18-19,22,26,41,44H,2,4,7-8,10-11,15,17,20-21H2,1H3,(H,38,43)(H,37,39,42)/b9-3+/t22-,26?/m0/s1 | 5 | |
| 1358 | 51 | 47 | | | 639.294450652 | COc1ccc(C(CC(=O)NCCc2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H41N3O7/c1-23-9-8-12-26(41)11-5-3-4-10-25-21-31(42)35(36(44)34(25)37(45)47-23)28(24-15-17-27(46-2)18-16-24)22-33(43)38-20-19-32-39-29-13-6-7-14-30(29)40-32/h4,6-7,10,13-18,21,23,28,42,44H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,38,43)(H,39,40)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 1359 | 48 | 44 | | | 603.258065144 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3c[nH]cn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C33H37N3O8/c1-20-6-5-9-24(37)8-4-2-3-7-22-14-26(38)31(32(40)30(22)33(41)44-20)25(21-10-11-27-28(15-21)43-19-42-27)16-29(39)35-13-12-23-17-34-18-36-23/h3,7,10-11,14-15,17-18,20,25,38,40H,2,4-6,8-9,12-13,16,19H2,1H3,(H,34,36)(H,35,39)/b7-3+/t20-,25?/m0/s1 | 5 | |
| 1360 | 51 | 48 | | | 727.221675404 | COCn1nc(Br)nc1NCCNC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C34H42BrN5O8/c1-21-8-7-11-24(41)10-6-4-5-9-23-18-27(42)30(31(44)29(23)32(45)48-21)26(22-12-14-25(47-3)15-13-22)19-28(43)36-16-17-37-34-38-33(35)39-40(34)20-46-2/h5,9,12-15,18,21,26,42,44H,4,6-8,10-11,16-17,19-20H2,1-3H3,(H,36,43)(H,37,38,39)/b9-5+/t21-,26?/m0/s1 | 4 | |
| 1361 | 48 | 44 | | | 620.219237112 | Cc1nc(CNC(=O)CC(c2ccc3c(c2)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cs1 | | InChI=1S/C33H36N2O8S/c1-19-7-6-10-24(36)9-5-3-4-8-22-13-26(37)31(32(39)30(22)33(40)43-19)25(21-11-12-27-28(14-21)42-18-41-27)15-29(38)34-16-23-17-44-20(2)35-23/h4,8,11-14,17,19,25,37,39H,3,5-7,9-10,15-16,18H2,1-2H3,(H,34,38)/b8-4+/t19-,25?/m0/s1 | 5 | |
| 1362 | 46 | 43 | | | 597.2573964479999 | COC(CNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)OC | | InChI=1S/C32H39NO10/c1-19-8-7-11-22(34)10-6-4-5-9-21-14-24(35)30(31(37)29(21)32(38)43-19)23(16-27(36)33-17-28(39-2)40-3)20-12-13-25-26(15-20)42-18-41-25/h5,9,12-15,19,23,28,35,37H,4,6-8,10-11,16-18H2,1-3H3,(H,33,36)/b9-5+/t19-,23?/m0/s1 | 4 | |
| 1363 | 50 | 47 | | | 665.277086336 | COc1ccc(C(CC(=O)NC(CCSC)c2nc(C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C35H43N3O8S/c1-21-9-8-12-25(39)11-7-5-6-10-24-19-29(40)32(33(42)31(24)35(43)45-21)27(23-13-15-26(44-3)16-14-23)20-30(41)37-28(17-18-47-4)34-36-22(2)38-46-34/h6,10,13-16,19,21,27-28,40,42H,5,7-9,11-12,17-18,20H2,1-4H3,(H,37,41)/b10-6+/t21-,27?,28?/m0/s1 | 4 | |
| 1364 | 60 | 54 | | | 742.3101602920001 | COc1c2c(c(CNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c3c1OCO3)CCN(C)C2 | | InChI=1S/C41H46N2O11/c1-23-8-7-11-26(44)10-6-4-5-9-25-16-31(45)36(37(47)35(25)41(48)54-23)28(24-12-13-32-33(17-24)51-21-50-32)18-34(46)42-19-29-27-14-15-43(2)20-30(27)38(49-3)40-39(29)52-22-53-40/h5,9,12-13,16-17,23,28,45,47H,4,6-8,10-11,14-15,18-22H2,1-3H3,(H,42,46)/b9-5+/t23-,28?/m0/s1 | 7 | |
| 1365 | 46 | 43 | | | 586.267901556 | COc1ccc(C(CC(=O)NCc2ccncc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H38N2O7/c1-22-7-6-10-26(37)9-5-3-4-8-25-19-29(38)32(33(40)31(25)34(41)43-22)28(24-11-13-27(42-2)14-12-24)20-30(39)36-21-23-15-17-35-18-16-23/h4,8,11-19,22,28,38,40H,3,5-7,9-10,20-21H2,1-2H3,(H,36,39)/b8-4+/t22-,28?/m0/s1 | 4 | |
| 1366 | 53 | 49 | | | 668.28461424 | COc1ccc(C(CC(=O)NCCc2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H40N4O8/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-30(43)34(35(45)33(25)37(46)48-23)28(24-14-16-27(47-2)17-15-24)22-31(44)39-20-18-32-40-36(41-49-32)29-13-6-7-19-38-29/h4,6-7,10,13-17,19,21,23,28,43,45H,3,5,8-9,11-12,18,20,22H2,1-2H3,(H,39,44)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 1367 | 51 | 47 | | | 639.294450652 | COc1ccc(C(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H41N3O7/c1-22-10-9-13-26(41)12-6-4-5-11-25-20-31(42)34(35(44)33(25)37(45)47-22)28(24-16-18-27(46-3)19-17-24)21-32(43)38-23(2)36-39-29-14-7-8-15-30(29)40-36/h5,7-8,11,14-20,22-23,28,42,44H,4,6,9-10,12-13,21H2,1-3H3,(H,38,43)(H,39,40)/b11-5+/t22-,23-,28?/m0/s1 | 5 | |
| 1368 | 56 | 51 | | | 695.3206653999998 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1nc2ccccc2[nH]1 | | InChI=1S/C40H45N3O8/c1-4-23(2)37(39-41-29-15-8-9-16-30(29)42-39)43-34(46)21-28(25-17-18-32-33(20-25)50-22-49-32)36-31(45)19-26-12-6-5-7-13-27(44)14-10-11-24(3)51-40(48)35(26)38(36)47/h6,8-9,12,15-20,23-24,28,37,45,47H,4-5,7,10-11,13-14,21-22H2,1-3H3,(H,41,42)(H,43,46)/b12-6+/t23-,24-,28?,37-/m0/s1 | 6 | |
| 1369 | 48 | 44 | | | 605.24856308 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3nnc(N)[nH]3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C31H35N5O8/c1-17-6-5-9-20(37)8-4-2-3-7-19-12-22(38)28(29(40)27(19)30(41)44-17)21(18-10-11-23-24(13-18)43-16-42-23)14-26(39)33-15-25-34-31(32)36-35-25/h3,7,10-13,17,21,38,40H,2,4-6,8-9,14-16H2,1H3,(H,33,39)(H3,32,34,35,36)/b7-3+/t17-,21?/m0/s1 | 5 | |
| 1370 | 54 | 49 | | | 668.2733808600001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NC3CCc4ccccc4N=C3O)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H40N2O9/c1-22-8-7-12-26(41)11-4-2-3-10-25-18-30(42)35(36(44)34(25)38(46)49-22)27(24-15-17-31-32(19-24)48-21-47-31)20-33(43)39-29-16-14-23-9-5-6-13-28(23)40-37(29)45/h3,5-6,9-10,13,15,17-19,22,27,29,42,44H,2,4,7-8,11-12,14,16,20-21H2,1H3,(H,39,43)(H,40,45)/b10-3+/t22-,27?,29?/m0/s1 | 6 | |
| 1371 | 54 | 50 | | | 699.2614362720001 | COc1ccc(C(CC(=O)NCCC(=O)Nc2nc3ccccc3s2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H41N3O8S/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-30(43)35(36(46)34(25)37(47)49-23)28(24-15-17-27(48-2)18-16-24)22-33(45)39-20-19-32(44)41-38-40-29-13-6-7-14-31(29)50-38/h4,6-7,10,13-18,21,23,28,43,46H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,45)(H,40,41,44)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 1372 | 50 | 47 | | | 648.3410664959999 | COc1ccc(C(CC(=O)NCCCN2CCCCCC2=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H48N2O8/c1-25-11-9-14-28(40)13-6-3-5-12-27-23-31(41)35(36(44)34(27)37(45)47-25)30(26-16-18-29(46-2)19-17-26)24-32(42)38-20-10-22-39-21-8-4-7-15-33(39)43/h5,12,16-19,23,25,30,41,44H,3-4,6-11,13-15,20-22,24H2,1-2H3,(H,38,42)/b12-5+/t25-,30?/m0/s1 | 4 | |
| 1373 | 52 | 47 | | | 638.2628161760001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3cccc4[nH]ccc34)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N2O8/c1-22-7-5-11-26(40)10-4-2-3-8-24-17-30(41)35(36(43)34(24)37(44)47-22)28(23-13-14-31-32(18-23)46-21-45-31)19-33(42)39-20-25-9-6-12-29-27(25)15-16-38-29/h3,6,8-9,12-18,22,28,38,41,43H,2,4-5,7,10-11,19-21H2,1H3,(H,39,42)/b8-3+/t22-,28?/m0/s1 | 6 | |
| 1374 | 53 | 49 | | | 692.24036648 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H40N2O10S/c1-22-6-5-9-26(39)8-4-2-3-7-25-18-29(40)34(35(42)33(25)36(43)48-22)28(24-12-15-30-31(19-24)47-21-46-30)20-32(41)38-17-16-23-10-13-27(14-11-23)49(37,44)45/h3,7,10-15,18-19,22,28,40,42H,2,4-6,8-9,16-17,20-21H2,1H3,(H,38,41)(H2,37,44,45)/b7-3+/t22-,28?/m0/s1 | 5 | |
| 1375 | 50 | 46 | | | 649.2094007000001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(=O)Nc3nccs3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C33H35N3O9S/c1-19-6-5-9-22(37)8-4-2-3-7-21-14-24(38)30(31(41)29(21)32(42)45-19)23(20-10-11-25-26(15-20)44-18-43-25)16-27(39)35-17-28(40)36-33-34-12-13-46-33/h3,7,10-15,19,23,38,41H,2,4-6,8-9,16-18H2,1H3,(H,35,39)(H,34,36,40)/b7-3+/t19-,23?/m0/s1 | 5 | |
| 1376 | 49 | 45 | | | 617.262481828 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCCc3ccco3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39NO9/c1-22-8-5-11-25(37)10-4-2-3-9-24-18-28(38)33(34(40)32(24)35(41)45-22)27(23-14-15-29-30(19-23)44-21-43-29)20-31(39)36-16-6-12-26-13-7-17-42-26/h3,7,9,13-15,17-19,22,27,38,40H,2,4-6,8,10-12,16,20-21H2,1H3,(H,36,39)/b9-3+/t22-,27?/m0/s1 | 5 | |
| 1377 | 49 | 45 | | | 634.2348871760001 | Cc1csc(CCNC(=O)CC(c2ccc3c(c2)OCO3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)n1 | | InChI=1S/C34H38N2O8S/c1-20-18-45-30(36-20)13-14-35-29(39)17-25(22-11-12-27-28(16-22)43-19-42-27)32-26(38)15-23-8-4-3-5-9-24(37)10-6-7-21(2)44-34(41)31(23)33(32)40/h4,8,11-12,15-16,18,21,25,38,40H,3,5-7,9-10,13-14,17,19H2,1-2H3,(H,35,39)/b8-4+/t21-,25?/m0/s1 | 5 | |
| 1378 | 48 | 44 | | | 600.247166112 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C34H36N2O8/c1-21-8-7-12-25(37)11-4-2-3-9-23-16-27(38)32(33(40)31(23)34(41)44-21)26(22-13-14-28-29(17-22)43-20-42-28)18-30(39)36-19-24-10-5-6-15-35-24/h3,5-6,9-10,13-17,21,26,38,40H,2,4,7-8,11-12,18-20H2,1H3,(H,36,39)/b9-3+/t21-,26?/m0/s1 | 5 | |
| 1379 | 49 | 45 | | | 643.208732004 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C32H37NO11S/c1-18-6-5-9-21(34)8-4-2-3-7-20-12-24(35)30(31(38)29(20)32(39)44-18)22(19-10-11-26-27(13-19)43-17-42-26)14-28(37)33-23-15-45(40,41)16-25(23)36/h3,7,10-13,18,22-23,25,35-36,38H,2,4-6,8-9,14-17H2,1H3,(H,33,37)/b7-3+/t18-,22?,23-,25+/m0/s1 | 5 | |
| 1380 | 48 | 45 | | | 622.2890309239999 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(N)=O | | InChI=1S/C34H42N2O9/c1-4-19(2)31(33(35)41)36-28(39)17-24(21-13-14-26-27(16-21)44-18-43-26)30-25(38)15-22-10-6-5-7-11-23(37)12-8-9-20(3)45-34(42)29(22)32(30)40/h6,10,13-16,19-20,24,31,38,40H,4-5,7-9,11-12,17-18H2,1-3H3,(H2,35,41)(H,36,39)/b10-6+/t19-,20-,24?,31-/m0/s1 | 4 | |
| 1381 | 46 | 43 | | | 594.257730796 | CC(=O)NCCNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C32H38N2O9/c1-19-7-6-10-23(36)9-5-3-4-8-22-15-25(37)30(31(39)29(22)32(40)43-19)24(17-28(38)34-14-13-33-20(2)35)21-11-12-26-27(16-21)42-18-41-26/h4,8,11-12,15-16,19,24,37,39H,3,5-7,9-10,13-14,17-18H2,1-2H3,(H,33,35)(H,34,38)/b8-4+/t19-,24?/m0/s1 | 4 | |
| 1382 | 63 | 57 | | | 781.3574448319998 | CC(C)[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 | | InChI=1S/C44H51N3O10/c1-25(2)41(43(53)46-21-27-17-30(23-46)33-13-8-14-38(51)47(33)22-27)45-37(50)20-32(28-15-16-35-36(19-28)56-24-55-35)40-34(49)18-29-10-5-4-6-11-31(48)12-7-9-26(3)57-44(54)39(29)42(40)52/h5,8,10,13-16,18-19,25-27,30,32,41,49,52H,4,6-7,9,11-12,17,20-24H2,1-3H3,(H,45,50)/b10-5+/t26-,27+,30-,32?,41-/m0/s1 | 7 | |
| 1383 | 46 | 43 | | | 592.3148517479999 | COc1ccc(C(CC(=O)NCCN2CCCC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C34H44N2O7/c1-23-9-8-12-26(37)11-5-3-4-10-25-21-29(38)32(33(40)31(25)34(41)43-23)28(24-13-15-27(42-2)16-14-24)22-30(39)35-17-20-36-18-6-7-19-36/h4,10,13-16,21,23,28,38,40H,3,5-9,11-12,17-20,22H2,1-2H3,(H,35,39)/b10-4+/t23-,28?/m0/s1 | 4 | |
| 1384 | 56 | 54 | | | 775.4718058880001 | CCC(=O)OC1C(N(C)C)CC(C)O[C@H]1O[C@H]1[C@H](C)[C@@H](O[C@H]2CC(OC)[C@@H](O)C(C)O2)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]1(C)O | | InChI=1S/C39H69NO14/c1-14-27-39(10,47)34(44)21(5)30(42)19(3)18-38(9,46)35(54-37-33(52-28(41)15-2)25(40(11)12)16-20(4)49-37)22(6)32(23(7)36(45)51-27)53-29-17-26(48-13)31(43)24(8)50-29/h19-27,29,31-35,37,43-44,46-47H,14-18H2,1-13H3/t19-,20?,21+,22+,23-,24?,25?,26?,27-,29-,31-,32+,33?,34-,35-,37-,38-,39-/m0/s1 | 3 | |
| 1385 | 67 | 65 | | | 951.4861356240001 | CCC1OC(=O)C(C)C(OC2CC(C)(CC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCOC(=O)CC(S)OC(=O)O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C45H77NO18S/c1-14-29-45(11,56)37(50)24(5)34(49)22(3)20-44(10,55)39(25(6)35(26(7)40(52)60-29)62-32-21-43(9,15-2)38(51)27(8)59-32)64-41-36(28(46(12)13)18-23(4)58-41)61-30(47)16-17-57-31(48)19-33(65)63-42(53)54/h22-29,32-33,35-39,41,50-51,55-56,65H,14-21H2,1-13H3,(H,53,54) | 3 | |
| 1386 | 57 | 53 | | | 732.3006582280002 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCC(=O)NCc3cc(=O)n(C)c(=O)n3C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H44N4O11/c1-22-8-7-11-26(43)10-6-4-5-9-24-16-28(44)35(36(48)34(24)37(49)53-22)27(23-12-13-29-30(17-23)52-21-51-29)19-32(46)39-15-14-31(45)40-20-25-18-33(47)42(3)38(50)41(25)2/h5,9,12-13,16-18,22,27,44,48H,4,6-8,10-11,14-15,19-21H2,1-3H3,(H,39,46)(H,40,45)/b9-5+/t22-,27?/m0/s1 | 5 | |
| 1387 | 54 | 49 | | | 668.2733808600001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3c[nH]c4ccc(O)cc34)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H40N2O9/c1-22-6-5-9-26(41)8-4-2-3-7-24-16-31(43)36(37(45)35(24)38(46)49-22)29(23-10-13-32-33(17-23)48-21-47-32)19-34(44)39-15-14-25-20-40-30-12-11-27(42)18-28(25)30/h3,7,10-13,16-18,20,22,29,40,42-43,45H,2,4-6,8-9,14-15,19,21H2,1H3,(H,39,44)/b7-3+/t22-,29?/m0/s1 | 6 | |
| 1388 | 51 | 47 | | | 643.2529797640001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(=O)Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H37N3O9/c1-21-8-7-11-24(39)10-4-2-3-9-23-16-26(40)33(34(43)32(23)35(44)47-21)25(22-13-14-27-28(17-22)46-20-45-27)18-30(41)37-19-31(42)38-29-12-5-6-15-36-29/h3,5-6,9,12-17,21,25,40,43H,2,4,7-8,10-11,18-20H2,1H3,(H,37,41)(H,36,38,42)/b9-3+/t21-,25?/m0/s1 | 5 | |
| 1389 | 48 | 44 | | | 668.1481761160002 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3nnc(Br)[nH]3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C31H33BrN4O8/c1-17-6-5-9-20(37)8-4-2-3-7-19-12-22(38)28(29(40)27(19)30(41)44-17)21(18-10-11-23-24(13-18)43-16-42-23)14-26(39)33-15-25-34-31(32)36-35-25/h3,7,10-13,17,21,38,40H,2,4-6,8-9,14-16H2,1H3,(H,33,39)(H,34,35,36)/b7-3+/t17-,21?/m0/s1 | 5 | |
| 1390 | 46 | 43 | | | 589.2788005879999 | COc1ccc(C(CC(=O)NCCc2c[nH]cn2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H39N3O7/c1-21-7-6-10-25(37)9-5-3-4-8-23-17-28(38)31(32(40)30(23)33(41)43-21)27(22-11-13-26(42-2)14-12-22)18-29(39)35-16-15-24-19-34-20-36-24/h4,8,11-14,17,19-21,27,38,40H,3,5-7,9-10,15-16,18H2,1-2H3,(H,34,36)(H,35,39)/b8-4+/t21-,27?/m0/s1 | 4 | |
| 1391 | 50 | 46 | | | 629.262481828 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3ccc(O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO9/c1-22-6-5-9-26(38)8-4-2-3-7-25-18-29(40)34(35(42)33(25)36(43)46-22)28(24-12-15-30-31(19-24)45-21-44-30)20-32(41)37-17-16-23-10-13-27(39)14-11-23/h3,7,10-15,18-19,22,28,39-40,42H,2,4-6,8-9,16-17,20-21H2,1H3,(H,37,41)/b7-3+/t22-,28?/m0/s1 | 5 | |
| 1392 | 55 | 50 | | | 682.2638787960002 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3nc(-c4cccnc4)no3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N4O9/c1-22-7-5-11-26(42)10-4-2-3-8-24-17-28(43)34(35(45)33(24)37(46)49-22)27(23-12-13-29-30(18-23)48-21-47-29)19-31(44)39-16-14-32-40-36(41-50-32)25-9-6-15-38-20-25/h3,6,8-9,12-13,15,17-18,20,22,27,43,45H,2,4-5,7,10-11,14,16,19,21H2,1H3,(H,39,44)/b8-3+/t22-,27?/m0/s1 | 6 | |
| 1393 | 55 | 51 | | | 695.3570509080001 | COc1ccc(C(CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H49N3O7/c1-25(2)22-33(40-43-32-16-9-10-17-34(32)44(40)4)42-36(47)24-31(27-18-20-30(50-5)21-19-27)38-35(46)23-28-13-7-6-8-14-29(45)15-11-12-26(3)51-41(49)37(28)39(38)48/h7,9-10,13,16-21,23,25-26,31,33,46,48H,6,8,11-12,14-15,22,24H2,1-5H3,(H,42,47)/b13-7+/t26-,31?,33-/m0/s1 | 5 | |
| 1394 | 54 | 50 | | | 683.2842798920001 | COc1ccc(C(CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H41N3O9/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-31(43)34(35(45)33(25)38(48)50-23)28(24-15-17-27(49-2)18-16-24)22-32(44)39-19-20-41-30-14-7-6-13-29(30)40-36(46)37(41)47/h4,6-7,10,13-18,21,23,28,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)(H,40,46)/b10-4+/t23-,28?/m0/s1 | 5 | |
| 1395 | 54 | 51 | | | 704.3421291160001 | COc1ccc(C(CC(=O)NCCC(=O)NCCc2nc(C(C)C)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H48N4O9/c1-23(2)37-41-33(51-42-37)18-20-39-31(45)17-19-40-32(46)22-29(25-13-15-28(49-4)16-14-25)35-30(44)21-26-10-6-5-7-11-27(43)12-8-9-24(3)50-38(48)34(26)36(35)47/h6,10,13-16,21,23-24,29,44,47H,5,7-9,11-12,17-20,22H2,1-4H3,(H,39,45)(H,40,46)/b10-6+/t24-,29?/m0/s1 | 4 | |
| 1396 | 55 | 51 | | | 705.2646070680001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCNC(=O)Cn3cc([N+](=O)[O-])cn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39N5O11/c1-21-6-5-9-25(41)8-4-2-3-7-23-14-27(42)33(34(45)32(23)35(46)51-21)26(22-10-11-28-29(15-22)50-20-49-28)16-30(43)36-12-13-37-31(44)19-39-18-24(17-38-39)40(47)48/h3,7,10-11,14-15,17-18,21,26,42,45H,2,4-6,8-9,12-13,16,19-20H2,1H3,(H,36,43)(H,37,44)/b7-3+/t21-,26?/m0/s1 | 5 | |
| 1397 | 49 | 46 | | | 629.298867336 | COc1ccc(CCNC(=O)CC(c2ccc(OC)cc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H43NO8/c1-24-8-7-11-28(39)10-6-4-5-9-27-22-32(40)35(36(42)34(27)37(43)46-24)31(26-14-18-30(45-3)19-15-26)23-33(41)38-21-20-25-12-16-29(44-2)17-13-25/h5,9,12-19,22,24,31,40,42H,4,6-8,10-11,20-21,23H2,1-3H3,(H,38,41)/b9-5+/t24-,31?/m0/s1 | 4 | |
| 1398 | 55 | 51 | | | 713.313471844 | COc1ccc(C(CC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C40H47N3O7S/c1-25-11-10-14-28(44)13-7-5-6-12-27-23-34(45)37(38(47)36(27)40(48)50-25)30(26-17-19-29(49-3)20-18-26)24-35(46)41-32(21-22-51-4)39-42-31-15-8-9-16-33(31)43(39)2/h6,8-9,12,15-20,23,25,30,32,45,47H,5,7,10-11,13-14,21-22,24H2,1-4H3,(H,41,46)/b12-6+/t25-,30?,32-/m0/s1 | 5 | |
| 1399 | 54 | 50 | | | 699.29782178 | COc1ccc(C(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H45N3O7S/c1-24-10-9-13-27(43)12-6-4-5-11-26-22-33(44)36(37(46)35(26)39(47)49-24)29(25-16-18-28(48-2)19-17-25)23-34(45)40-32(20-21-50-3)38-41-30-14-7-8-15-31(30)42-38/h5,7-8,11,14-19,22,24,29,32,44,46H,4,6,9-10,12-13,20-21,23H2,1-3H3,(H,40,45)(H,41,42)/b11-5+/t24-,29?,32-/m0/s1 | 5 | |
| 1400 | 62 | 58 | | | 820.2989439760001 | COc1cc(C(CC(=O)NC(CCS(C)(=O)=O)c2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C41H48N4O12S/c1-24-12-11-15-27(46)14-8-6-7-13-25-20-31(47)36(37(49)35(25)41(50)56-24)28(26-21-32(53-2)38(55-4)33(22-26)54-3)23-34(48)43-30(17-19-58(5,51)52)40-44-39(45-57-40)29-16-9-10-18-42-29/h7,9-10,13,16,18,20-22,24,28,30,47,49H,6,8,11-12,14-15,17,19,23H2,1-5H3,(H,43,48)/b13-7+/t24-,28?,30?/m0/s1 | 5 | |
| 1401 | 66 | 61 | | | 859.3713806440002 | COc1cc(C(CC(=O)NC(CCSC)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C46H57N3O11S/c1-27-11-9-14-32(50)13-8-6-7-12-29-20-36(51)42(43(54)41(29)46(56)60-27)33(30-21-37(57-2)44(59-4)38(22-30)58-3)23-39(52)47-34(17-18-61-5)45(55)48-24-28-19-31(26-48)35-15-10-16-40(53)49(35)25-28/h7,10,12,15-16,20-22,27-28,31,33-34,51,54H,6,8-9,11,13-14,17-19,23-26H2,1-5H3,(H,47,52)/b12-7+/t27-,28+,31-,33?,34?/m0/s1 | 6 | |
| 1402 | 60 | 56 | | | 770.3526938 | COCc1nc(C(Cc2ccccc2)NC(=O)CC(c2cc(OC)c(OC)c(OC)c2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)n[nH]1 | | InChI=1S/C42H50N4O10/c1-25-13-12-18-29(47)17-11-7-10-16-27-20-32(48)38(39(50)37(27)42(51)56-25)30(28-21-33(53-3)40(55-5)34(22-28)54-4)23-36(49)43-31(19-26-14-8-6-9-15-26)41-44-35(24-52-2)45-46-41/h6,8-10,14-16,20-22,25,30-31,48,50H,7,11-13,17-19,23-24H2,1-5H3,(H,43,49)(H,44,45,46)/b16-10+/t25-,30?,31?/m0/s1 | 5 | |
| 1403 | 51 | 47 | | | 639.294450652 | COc1ccc(C(CC(=O)NCc2nc3cc(C)ccc3[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C37H41N3O7/c1-22-12-17-29-30(18-22)40-32(39-29)21-38-33(43)20-28(24-13-15-27(46-3)16-14-24)35-31(42)19-25-9-5-4-6-10-26(41)11-7-8-23(2)47-37(45)34(25)36(35)44/h5,9,12-19,23,28,42,44H,4,6-8,10-11,20-21H2,1-3H3,(H,38,43)(H,39,40)/b9-5+/t23-,28?/m0/s1 | 5 | |
| 1404 | 58 | 53 | | | 728.3308957359999 | COc1ccc(C(CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H48N2O10/c1-24-9-8-12-27(44)11-7-5-6-10-26-19-33(45)36(37(47)35(26)41(48)53-24)30(25-13-15-28(49-3)16-14-25)20-34(46)42-21-31-29-17-18-43(2)22-32(29)38(50-4)40-39(31)51-23-52-40/h6,10,13-16,19,24,30,45,47H,5,7-9,11-12,17-18,20-23H2,1-4H3,(H,42,46)/b10-6+/t24-,30?/m0/s1 | 6 | |
| 1405 | 55 | 50 | | | 683.2842798920001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCn3c(CO)nc4ccccc43)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H41N3O9/c1-23-8-7-11-26(43)10-4-2-3-9-25-18-30(44)36(37(46)35(25)38(47)50-23)27(24-14-15-31-32(19-24)49-22-48-31)20-34(45)39-16-17-41-29-13-6-5-12-28(29)40-33(41)21-42/h3,5-6,9,12-15,18-19,23,27,42,44,46H,2,4,7-8,10-11,16-17,20-22H2,1H3,(H,39,45)/b9-3+/t23-,27?/m0/s1 | 6 | |
| 1406 | 54 | 50 | | | 681.3414008439998 | CC[C@H](C)[C@H](NC(=O)CC(c1ccc(OC)cc1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1nc2ccccc2[nH]1 | | InChI=1S/C40H47N3O7/c1-5-24(2)37(39-41-31-16-9-10-17-32(31)42-39)43-34(46)23-30(26-18-20-29(49-4)21-19-26)36-33(45)22-27-13-7-6-8-14-28(44)15-11-12-25(3)50-40(48)35(27)38(36)47/h7,9-10,13,16-22,24-25,30,37,45,47H,5-6,8,11-12,14-15,23H2,1-4H3,(H,41,42)(H,43,46)/b13-7+/t24-,25-,30?,37-/m0/s1 | 5 | |
| 1407 | 46 | 43 | | | 654.16891156 | COc1ccc(C(CC(=O)NCc2nnc(Br)[nH]2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C31H35BrN4O7/c1-18-7-6-10-21(37)9-5-3-4-8-20-15-24(38)28(29(40)27(20)30(41)43-18)23(19-11-13-22(42-2)14-12-19)16-26(39)33-17-25-34-31(32)36-35-25/h4,8,11-15,18,23,38,40H,3,5-7,9-10,16-17H2,1-2H3,(H,33,39)(H,34,35,36)/b8-4+/t18-,23?/m0/s1 | 4 | |
| 1408 | 51 | 47 | | | 643.278131892 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)N[C@@H](CO)Cc3ccccc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H41NO9/c1-23-9-8-14-28(40)13-7-3-6-12-26-18-30(41)35(36(43)34(26)37(44)47-23)29(25-15-16-31-32(19-25)46-22-45-31)20-33(42)38-27(21-39)17-24-10-4-2-5-11-24/h2,4-6,10-12,15-16,18-19,23,27,29,39,41,43H,3,7-9,13-14,17,20-22H2,1H3,(H,38,42)/b12-6+/t23-,27+,29?/m0/s1 | 5 | |
| 1409 | 56 | 51 | | | 697.2635444480001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H39N3O10/c1-22-8-7-11-25(42)10-4-2-3-9-24-18-29(43)34(35(45)33(24)38(48)51-22)26(23-14-15-30-31(19-23)50-21-49-30)20-32(44)39-16-17-41-28-13-6-5-12-27(28)40-36(46)37(41)47/h3,5-6,9,12-15,18-19,22,26,43,45H,2,4,7-8,10-11,16-17,20-21H2,1H3,(H,39,44)(H,40,46)/b9-3+/t22-,26?/m0/s1 | 6 | |
| 1410 | 51 | 47 | | | 645.2573964479999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(O)c3cccc(O)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO10/c1-21-7-5-11-25(38)10-4-2-3-8-24-16-28(40)34(35(43)33(24)36(44)47-21)27(22-13-14-30-31(17-22)46-20-45-30)18-32(42)37-19-29(41)23-9-6-12-26(39)15-23/h3,6,8-9,12-17,21,27,29,39-41,43H,2,4-5,7,10-11,18-20H2,1H3,(H,37,42)/b8-3+/t21-,27?,29?/m0/s1 | 5 | |
| 1411 | 54 | 49 | | | 682.2348871760001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3cccc(-c4nccs4)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H38N2O8S/c1-23-7-5-12-28(41)11-4-2-3-9-26-18-30(42)35(36(44)34(26)38(45)48-23)29(25-13-14-31-32(19-25)47-22-46-31)20-33(43)40-21-24-8-6-10-27(17-24)37-39-15-16-49-37/h3,6,8-10,13-19,23,29,42,44H,2,4-5,7,11-12,20-22H2,1H3,(H,40,43)/b9-3+/t23-,29?/m0/s1 | 6 | |
| 1412 | 44 | 41 | | | 567.2468317639999 | C[C@@H](O)CNC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C31H37NO9/c1-18(33)16-32-27(36)15-23(20-11-12-25-26(14-20)40-17-39-25)29-24(35)13-21-8-4-3-5-9-22(34)10-6-7-19(2)41-31(38)28(21)30(29)37/h4,8,11-14,18-19,23,33,35,37H,3,5-7,9-10,15-17H2,1-2H3,(H,32,36)/b8-4+/t18-,19+,23?/m1/s1 | 4 | |
| 1413 | 49 | 45 | | | 614.2628161760001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H38N2O8/c1-22-8-7-12-26(38)11-4-2-3-9-24-18-28(39)33(34(41)32(24)35(42)45-22)27(23-13-14-29-30(19-23)44-21-43-29)20-31(40)37-17-15-25-10-5-6-16-36-25/h3,5-6,9-10,13-14,16,18-19,22,27,39,41H,2,4,7-8,11-12,15,17,20-21H2,1H3,(H,37,40)/b9-3+/t22-,27?/m0/s1 | 5 | |
| 1414 | 64 | 58 | | | 813.3295158319999 | CSCC[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 | | InChI=1S/C44H51N3O10S/c1-26-8-6-11-31(48)10-5-3-4-9-29-19-35(49)41(42(52)40(29)44(54)57-26)32(28-14-15-36-37(20-28)56-25-55-36)21-38(50)45-33(16-17-58-2)43(53)46-22-27-18-30(24-46)34-12-7-13-39(51)47(34)23-27/h4,7,9,12-15,19-20,26-27,30,32-33,49,52H,3,5-6,8,10-11,16-18,21-25H2,1-2H3,(H,45,50)/b9-4+/t26-,27+,30-,32?,33-/m0/s1 | 7 | |
| 1415 | 50 | 45 | | | 618.2941163040001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NC3CN4CCC3CC4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H42N2O8/c1-21-6-5-9-25(38)8-4-2-3-7-24-16-28(39)33(34(41)32(24)35(42)45-21)26(23-10-11-29-30(17-23)44-20-43-29)18-31(40)36-27-19-37-14-12-22(27)13-15-37/h3,7,10-11,16-17,21-22,26-27,39,41H,2,4-6,8-9,12-15,18-20H2,1H3,(H,36,40)/b7-3+/t21-,26?,27?/m0/s1 | 7 | |
| 1416 | 54 | 51 | | | 702.35163118 | COc1cc(C(CC(=O)NCC(c2ccccc2)N(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C40H50N2O9/c1-25-14-13-19-29(43)18-12-8-11-17-27-20-32(44)37(38(46)36(27)40(47)51-25)30(28-21-33(48-4)39(50-6)34(22-28)49-5)23-35(45)41-24-31(42(2)3)26-15-9-7-10-16-26/h7,9-11,15-17,20-22,25,30-31,44,46H,8,12-14,18-19,23-24H2,1-6H3,(H,41,45)/b17-11+/t25-,30?,31?/m0/s1 | 4 | |
| 1417 | 45 | 43 | | | 593.2624818279999 | C#CCNC(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 | | InChI=1S/C33H39NO9/c1-6-15-34-28(37)19-24(22-17-26(40-3)32(42-5)27(18-22)41-4)30-25(36)16-21-12-8-7-9-13-23(35)14-10-11-20(2)43-33(39)29(21)31(30)38/h1,8,12,16-18,20,24,36,38H,7,9-11,13-15,19H2,2-5H3,(H,34,37)/b12-8+/t20-,24?/m0/s1 | 3 | |
| 1418 | 50 | 47 | | | 653.3199967039999 | COc1cc(C(CC(=O)N[C@H]2CC[C@H](O)CC2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc(OC)c1OC | | InChI=1S/C36H47NO10/c1-21-9-8-12-25(38)11-7-5-6-10-22-17-28(40)33(34(42)32(22)36(43)47-21)27(20-31(41)37-24-13-15-26(39)16-14-24)23-18-29(44-2)35(46-4)30(19-23)45-3/h6,10,17-19,21,24,26-27,39-40,42H,5,7-9,11-16,20H2,1-4H3,(H,37,41)/b10-6+/t21-,24-,26-,27?/m0/s1 | 4 | |
| 1419 | 51 | 47 | | | 645.2573964479999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3ccc(O)c(O)c3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C36H39NO10/c1-21-6-5-9-25(38)8-4-2-3-7-24-17-29(41)34(35(43)33(24)36(44)47-21)26(23-11-13-30-31(18-23)46-20-45-30)19-32(42)37-15-14-22-10-12-27(39)28(40)16-22/h3,7,10-13,16-18,21,26,39-41,43H,2,4-6,8-9,14-15,19-20H2,1H3,(H,37,42)/b7-3+/t21-,26?/m0/s1 | 5 | |
| 1420 | 51 | 47 | | | 649.299929956 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NC3CCN(CC(N)=O)CC3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H43N3O9/c1-21-6-5-9-25(39)8-4-2-3-7-23-16-27(40)33(34(43)32(23)35(44)47-21)26(22-10-11-28-29(17-22)46-20-45-28)18-31(42)37-24-12-14-38(15-13-24)19-30(36)41/h3,7,10-11,16-17,21,24,26,40,43H,2,4-6,8-9,12-15,18-20H2,1H3,(H2,36,41)(H,37,42)/b7-3+/t21-,26?/m0/s1 | 5 | |
| 1421 | 44 | 42 | | | 602.2298017960001 | COc1ccc(C(CC(=O)NCCS(N)(=O)=O)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C30H38N2O9S/c1-19-7-6-10-22(33)9-5-3-4-8-21-17-25(34)28(29(36)27(21)30(37)41-19)24(20-11-13-23(40-2)14-12-20)18-26(35)32-15-16-42(31,38)39/h4,8,11-14,17,19,24,34,36H,3,5-7,9-10,15-16,18H2,1-2H3,(H,32,35)(H2,31,38,39)/b8-4+/t19-,24?/m0/s1 | 3 | |
| 1422 | 46 | 43 | | | 589.2788005879999 | COc1ccc(C(CC(=O)NCCn2ccnc2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C33H39N3O7/c1-22-7-6-10-25(37)9-5-3-4-8-24-19-28(38)31(32(40)30(24)33(41)43-22)27(23-11-13-26(42-2)14-12-23)20-29(39)35-16-18-36-17-15-34-21-36/h4,8,11-15,17,19,21-22,27,38,40H,3,5-7,9-10,16,18,20H2,1-2H3,(H,35,39)/b8-4+/t22-,27?/m0/s1 | 4 | |
| 1423 | 43 | 41 | | | 566.299201684 | COc1ccc(C(CC(=O)NCCN(C)C)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C32H42N2O7/c1-21-9-8-12-24(35)11-7-5-6-10-23-19-27(36)30(31(38)29(23)32(39)41-21)26(20-28(37)33-17-18-34(2)3)22-13-15-25(40-4)16-14-22/h6,10,13-16,19,21,26,36,38H,5,7-9,11-12,17-18,20H2,1-4H3,(H,33,37)/b10-6+/t21-,26?/m0/s1 | 3 | |
| 1424 | 52 | 48 | | | 661.2635444480001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCc3cc(=O)n(C)c(=O)n3C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H39N3O10/c1-20-8-7-11-24(39)10-6-4-5-9-22-14-26(40)32(33(43)31(22)34(44)48-20)25(21-12-13-27-28(15-21)47-19-46-27)17-29(41)36-18-23-16-30(42)38(3)35(45)37(23)2/h5,9,12-16,20,25,40,43H,4,6-8,10-11,17-19H2,1-3H3,(H,36,41)/b9-5+/t20-,25?/m0/s1 | 5 | |
| 1425 | 53 | 49 | | | 668.3097663679999 | COc1ccc(C(CC(=O)NCCc2c[nH]c3ccc(OC)cc23)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H44N2O8/c1-24-8-7-11-28(42)10-6-4-5-9-26-20-34(43)37(38(45)36(26)39(46)49-24)32(25-12-14-29(47-2)15-13-25)22-35(44)40-19-18-27-23-41-33-17-16-30(48-3)21-31(27)33/h5,9,12-17,20-21,23-24,32,41,43,45H,4,6-8,10-11,18-19,22H2,1-3H3,(H,40,44)/b9-5+/t24-,32?/m0/s1 | 5 | |
| 1426 | 55 | 50 | | | 682.2890309239999 | COc1ccc2[nH]cc(CCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c2c1 | | InChI=1S/C39H42N2O9/c1-23-7-6-10-27(42)9-5-3-4-8-25-17-32(43)37(38(45)36(25)39(46)50-23)30(24-11-14-33-34(18-24)49-22-48-33)20-35(44)40-16-15-26-21-41-31-13-12-28(47-2)19-29(26)31/h4,8,11-14,17-19,21,23,30,41,43,45H,3,5-7,9-10,15-16,20,22H2,1-2H3,(H,40,44)/b8-4+/t23-,30?/m0/s1 | 6 | |
| 1427 | 60 | 55 | | | 755.30540926 | COc1cc2nc(C)n(CCNC(=O)CC(c3ccc4c(c3)OCO4)c3c(O)cc4c(c3O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(=O)c2cc1OC | | InChI=1S/C41H45N3O11/c1-23-9-8-12-27(45)11-7-5-6-10-26-17-31(46)38(39(48)37(26)41(50)55-23)28(25-13-14-32-35(18-25)54-22-53-32)20-36(47)42-15-16-44-24(2)43-30-21-34(52-4)33(51-3)19-29(30)40(44)49/h6,10,13-14,17-19,21,23,28,46,48H,5,7-9,11-12,15-16,20,22H2,1-4H3,(H,42,47)/b10-6+/t23-,28?/m0/s1 | 6 | |
| 1428 | 51 | 47 | | | 646.2526454160001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(=O)NCc3ccco3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C35H38N2O10/c1-21-7-5-10-24(38)9-4-2-3-8-23-15-27(39)33(34(42)32(23)35(43)47-21)26(22-12-13-28-29(16-22)46-20-45-28)17-30(40)37-19-31(41)36-18-25-11-6-14-44-25/h3,6,8,11-16,21,26,39,42H,2,4-5,7,9-10,17-20H2,1H3,(H,36,41)(H,37,40)/b8-3+/t21-,26?/m0/s1 | 5 | |
| 1429 | 43 | 40 | | | 553.2311816999999 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCO)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C30H35NO9/c1-18-6-5-9-21(33)8-4-2-3-7-20-14-23(34)28(29(36)27(20)30(37)40-18)22(16-26(35)31-12-13-32)19-10-11-24-25(15-19)39-17-38-24/h3,7,10-11,14-15,18,22,32,34,36H,2,4-6,8-9,12-13,16-17H2,1H3,(H,31,35)/b7-3+/t18-,22?/m0/s1 | 4 | |
| 1430 | 55 | 51 | | | 698.2951789240001 | COc1ccc(C(CC(=O)NCCc2noc(Cn3ccccc3=O)n2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C38H42N4O9/c1-24-9-8-12-27(43)11-5-3-4-10-26-21-30(44)36(37(47)35(26)38(48)50-24)29(25-14-16-28(49-2)17-15-25)22-32(45)39-19-18-31-40-33(51-41-31)23-42-20-7-6-13-34(42)46/h4,6-7,10,13-17,20-21,24,29,44,47H,3,5,8-9,11-12,18-19,22-23H2,1-2H3,(H,39,45)/b10-4+/t24-,29?/m0/s1 | 5 | |
| 1431 | 24 | 23 | | | 320.1623738679999 | C[C@H]1CCCC(O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14?/m0/s1 | 2 | |
| 1432 | 62 | 60 | | | 861.5085853200001 | CCC(=O)OCCC(=O)O[C@H]1C(O[C@@H]2[C@@H](C)[C@H](OC3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)CC2(C)O)O[C@H](C)C[C@@H]1N(C)C | | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)17-18-54-30(45)16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27-,28+,29-,32?,34+,35-,36-,37-,38-,40?,41?,42+,43-/m1/s1 | 3 | |
| 1433 | 53 | 51 | | | 735.4405057600001 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2OC(O)CC(C)(OC)C2O)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)C(O)[C@]1(C)O | | InChI=1S/C36H65NO14/c1-13-23-36(9,45)28(41)19(4)25(39)17(2)15-34(7,44)30(51-32-26(40)22(37(10)11)14-18(3)47-32)20(5)27(21(6)31(43)48-23)50-33-29(42)35(8,46-12)16-24(38)49-33/h17-24,26-30,32-33,38,40-42,44-45H,13-16H2,1-12H3/t17-,18?,19+,20+,21-,22?,23-,24?,26?,27+,28?,29?,30-,32?,33?,34-,35?,36-/m1/s1 | 3 | |
| 1434 | 56 | 52 | | | 728.2879853680001 | COc1ccc(C(CC(=O)NC(CCSC)c2nc(-c3ccccn3)no2)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C39H44N4O8S/c1-24-10-9-13-27(44)12-6-4-5-11-26-22-32(45)35(36(47)34(26)39(48)50-24)29(25-15-17-28(49-2)18-16-25)23-33(46)41-31(19-21-52-3)38-42-37(43-51-38)30-14-7-8-20-40-30/h5,7-8,11,14-18,20,22,24,29,31,45,47H,4,6,9-10,12-13,19,21,23H2,1-3H3,(H,41,46)/b11-5+/t24-,29?,31?/m0/s1 | 5 | |
| 1435 | 53 | 48 | | | 660.341066496 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C38H48N2O8/c1-24-9-7-13-28(41)12-4-2-3-10-26-19-31(42)36(37(44)35(26)38(45)48-24)29(25-15-16-32-33(20-25)47-23-46-32)21-34(43)39-22-27-11-8-18-40-17-6-5-14-30(27)40/h3,10,15-16,19-20,24,27,29-30,42,44H,2,4-9,11-14,17-18,21-23H2,1H3,(H,39,43)/b10-3+/t24-,27-,29?,30+/m0/s1 | 6 | |
| 1436 | 51 | 47 | | | 663.2250507640001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCC(=O)Nc3nccs3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C34H37N3O9S/c1-20-6-5-9-23(38)8-4-2-3-7-22-16-25(39)31(32(42)30(22)33(43)46-20)24(21-10-11-26-27(17-21)45-19-44-26)18-29(41)35-13-12-28(40)37-34-36-14-15-47-34/h3,7,10-11,14-17,20,24,39,42H,2,4-6,8-9,12-13,18-19H2,1H3,(H,35,41)(H,36,37,40)/b7-3+/t20-,24?/m0/s1 | 5 | |
| 1437 | 45 | 42 | | | 580.27846624 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCN(C)C)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C32H40N2O8/c1-20-8-7-11-23(35)10-6-4-5-9-22-16-25(36)30(31(38)29(22)32(39)42-20)24(18-28(37)33-14-15-34(2)3)21-12-13-26-27(17-21)41-19-40-26/h5,9,12-13,16-17,20,24,36,38H,4,6-8,10-11,14-15,18-19H2,1-3H3,(H,33,37)/b9-5+/t20-,24?/m0/s1 | 4 | |
| 1438 | 64 | 58 | | | 795.3730948960001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCCCCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C45H53N3O10/c1-28-10-8-13-33(49)12-5-2-4-11-31-21-36(50)43(44(54)42(31)45(55)58-28)34(30-17-18-37-38(22-30)57-27-56-37)23-39(51)46-19-7-3-6-15-40(52)47-24-29-20-32(26-47)35-14-9-16-41(53)48(35)25-29/h4,9,11,14,16-18,21-22,28-29,32,34,50,54H,2-3,5-8,10,12-13,15,19-20,23-27H2,1H3,(H,46,51)/b11-4+/t28-,29+,32-,34?/m0/s1 | 7 | |
| 1439 | 61 | 55 | | | 753.3261447039998 | C[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 | | InChI=1S/C42H47N3O10/c1-24-8-6-11-30(46)10-5-3-4-9-28-17-33(47)39(40(50)38(28)42(52)55-24)31(27-14-15-34-35(18-27)54-23-53-34)19-36(48)43-25(2)41(51)44-20-26-16-29(22-44)32-12-7-13-37(49)45(32)21-26/h4,7,9,12-15,17-18,24-26,29,31,47,50H,3,5-6,8,10-11,16,19-23H2,1-2H3,(H,43,48)/b9-4+/t24-,25-,26+,29-,31?/m0/s1 | 7 | |
| 1440 | 45 | 42 | | | 580.2420807319999 | C[C@H](NC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)C(N)=O | | InChI=1S/C31H36N2O9/c1-17-7-6-10-21(34)9-5-3-4-8-20-13-23(35)28(29(37)27(20)31(39)42-17)22(15-26(36)33-18(2)30(32)38)19-11-12-24-25(14-19)41-16-40-24/h4,8,11-14,17-18,22,35,37H,3,5-7,9-10,15-16H2,1-2H3,(H2,32,38)(H,33,36)/b8-4+/t17-,18-,22?/m0/s1 | 4 | |
| 1441 | 61 | 55 | | | 753.3261447040001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C42H47N3O10/c1-25-7-5-10-30(46)9-4-2-3-8-28-18-33(47)40(41(51)39(28)42(52)55-25)31(27-13-14-34-35(19-27)54-24-53-34)20-36(48)43-16-15-37(49)44-21-26-17-29(23-44)32-11-6-12-38(50)45(32)22-26/h3,6,8,11-14,18-19,25-26,29,31,47,51H,2,4-5,7,9-10,15-17,20-24H2,1H3,(H,43,48)/b8-3+/t25-,26+,29-,31?/m0/s1 | 7 | |
| 1442 | 55 | 50 | | | 682.2638787960002 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCc3nc(-c4ccccn4)no3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H38N4O9/c1-22-8-7-11-25(42)10-4-2-3-9-24-18-28(43)34(35(45)33(24)37(46)49-22)26(23-13-14-29-30(19-23)48-21-47-29)20-31(44)39-17-15-32-40-36(41-50-32)27-12-5-6-16-38-27/h3,5-6,9,12-14,16,18-19,22,26,43,45H,2,4,7-8,10-11,15,17,20-21H2,1H3,(H,39,44)/b9-3+/t22-,26?/m0/s1 | 6 | |
| 1443 | 62 | 56 | | | 767.3417947680001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCCCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C43H49N3O10/c1-26-8-5-11-31(47)10-4-2-3-9-29-19-34(48)41(42(52)40(29)43(53)56-26)32(28-15-16-35-36(20-28)55-25-54-35)21-37(49)44-17-7-14-38(50)45-22-27-18-30(24-45)33-12-6-13-39(51)46(33)23-27/h3,6,9,12-13,15-16,19-20,26-27,30,32,48,52H,2,4-5,7-8,10-11,14,17-18,21-25H2,1H3,(H,44,49)/b9-3+/t26-,27+,30-,32?/m0/s1 | 7 | |
| 1444 | 58 | 53 | | | 725.331230084 | COc1ccc(C(CC(=O)NCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(O)cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)cc1 | | InChI=1S/C41H47N3O9/c1-25-8-6-11-30(45)10-5-3-4-9-28-19-34(46)39(40(50)38(28)41(51)53-25)32(27-14-16-31(52-2)17-15-27)20-35(47)42-21-37(49)43-22-26-18-29(24-43)33-12-7-13-36(48)44(33)23-26/h4,7,9,12-17,19,25-26,29,32,46,50H,3,5-6,8,10-11,18,20-24H2,1-2H3,(H,42,47)/b9-4+/t25-,26+,29-,32?/m0/s1 | 6 | |
| 1445 | 54 | 50 | | | 685.2635444480001 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)c(C(CC(=O)NCC(=O)Nc3ccc(C(N)=O)cc3)c3ccc4c(c3)OCO4)c(O)c2C(=O)O1 | | InChI=1S/C37H39N3O10/c1-21-6-5-9-26(41)8-4-2-3-7-24-16-28(42)34(35(45)33(24)37(47)50-21)27(23-12-15-29-30(17-23)49-20-48-29)18-31(43)39-19-32(44)40-25-13-10-22(11-14-25)36(38)46/h3,7,10-17,21,27,42,45H,2,4-6,8-9,18-20H2,1H3,(H2,38,46)(H,39,43)(H,40,44)/b7-3+/t21-,27?/m0/s1 | 5 | |
| 1446 | 17 | 17 | | | 242.151809184 | CC1COC(=O)CCCCCCCCC(=O)O1 | | InChI=1S/C13H22O4/c1-11-10-16-12(14)8-6-4-2-3-5-7-9-13(15)17-11/h11H,2-10H2,1H3 | 1 | |
| 1447 | 42 | 40 | | | 555.2832172719999 | COc1ccc(CCNC(=O)COc2cc3c(c(OC)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1OC | | InChI=1S/C31H41NO8/c1-21-9-8-12-24(33)11-7-5-6-10-23-18-25(19-28(38-4)30(23)31(35)40-21)39-20-29(34)32-16-15-22-13-14-26(36-2)27(17-22)37-3/h13-14,17-19,21H,5-12,15-16,20H2,1-4H3,(H,32,34)/t21-/m0/s1 | 3 | |
| 1448 | 54 | 52 | | | 747.476891268 | CCC1OC(=O)CC(C)(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O | | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(43)22(4)29(41)20(2)17-37(9,47-14)33(51-34-30(42)25(39(11)12)16-21(3)48-34)23(5)35(7,18-27(40)50-26)52-28-19-36(8,46-13)32(44)24(6)49-28/h20-26,28,30-34,42-45H,15-19H2,1-14H3 | 3 | |
| 1449 | 40 | 37 | | | 481.282823348 | [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]13OC(=O)CC[C@H](O)CCC[C@@H](C)CC=C[C@@]3([H])[C@H](O)C(=C)[C@H]2C | | InChI=1S/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1 | 4 | |
| 1450 | 70 | 68 | | | 978.6243587480002 | [H][C@@]1(O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=NOC(C)(C)OC)[C@H](C)C[C@@](C)(OC)[C@]([H])(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@H]1C | | InChI=1S/C48H94N2O14Si2/c1-24-35-48(12,53)40(51)30(4)37(49-64-45(8,9)54-15)28(2)26-46(10,55-16)41(61-44-39(62-65(18,19)20)34(50(13)14)25-29(3)57-44)31(5)38(32(6)43(52)59-35)60-36-27-47(11,56-17)42(33(7)58-36)63-66(21,22)23/h28-36,38-42,44,51,53H,24-27H2,1-23H3/t28-,29-,30+,31+,32-,33+,34+,35-,36+,38+,39-,40-,41-,42+,44+,46-,47-,48-/m1/s1 | 3 | |
| 1451 | 64 | 60 | | | 844.4746205 | CCC1OC(=O)C(C)(F)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)OC12C | | InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3 | 5 | |
| 1452 | 24 | 23 | | | 320.162373868 | C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 | | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1 | 2 | |
| 1453 | 71 | 69 | | | 992.6400088120002 | [H][C@@]1(O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=NOC(C)(C)OCC)[C@H](C)C[C@@](C)(OC)[C@]([H])(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@H]1C | | InChI=1S/C49H96N2O14Si2/c1-24-36-49(13,54)41(52)31(5)38(50-65-46(9,10)57-25-2)29(3)27-47(11,55-16)42(62-45-40(63-66(18,19)20)35(51(14)15)26-30(4)58-45)32(6)39(33(7)44(53)60-36)61-37-28-48(12,56-17)43(34(8)59-37)64-67(21,22)23/h29-37,39-43,45,52,54H,24-28H2,1-23H3/t29-,30-,31+,32+,33-,34+,35+,36-,37+,39+,40-,41-,42-,43+,45+,47-,48-,49-/m1/s1 | 3 | |
| 1454 | 60 | 58 | | | 836.5245697319999 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 | 3 | |
| 1455 | 22 | 22 | | | 308.198759376 | COC1C=CC(C)(O)C=CC(=O)OC(C)C(C)CCC=C1C | | InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3 | 1 | |
| 1456 | 31 | 29 | | | 378.13146766399996 | [H]C12CC(O)C(O)C(=O)C=CCC(C)OC(=O)c3c(O)cc(OC)cc3C1([H])O2 | | InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3 | 3 | |
| 1457 | 63 | 59 | | | 811.4731432799999 | [H]C12C(C)C(=O)C(C)CC(C)(OC)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(=O)C(C)C(=O)OC(CC)C1(C)OC(=O)N2CCCCn1cnc(-c2cccnc2)c1 | | InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3 | 5 | |
| 1458 | 40 | 37 | | | 479.267173284 | [H]C12C=CCC(C)CCCC(O)C=CC(=O)OC13C(=O)NC(Cc1ccccc1)C3([H])C(C)C(=C)C2O | | InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34) | 4 | |
| 1459 | 32 | 30 | | | 395.176644028 | [H]C12CC([H])(CCC(C)C=CCCC(C)=CC(=O)O1)OC(O)(C1([H])CSC(=O)N1)C2 | | InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23) | 3 | |
| 1460 | 29 | 27 | | | 364.071365944 | [H]C12C=CC=CC(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)OC(C)CC1([H])O2 | | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3 | 3 | |
| 1461 | 68 | 66 | | | 733.4612412040002 | [H][C@@]1(O[C@@]2([H])[C@]([H])(C)[C@]([H])(O[C@]3([H])O[C@@]([H])(C)C[C@@]([H])(N(C)C)[C@]3([H])O)[C@](C)(O)C[C@@]([H])(C)C(=O)[C@]([H])(C)[C@]([H])(O)[C@](C)(O)[C@@]([H])(CC)OC(=O)[C@@]2([H])C)C[C@](C)(OC)[C@@]([H])(O)[C@]([H])(C)O1 | | InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19+,20+,21+,22+,23+,24-,25-,26-,28+,29+,30+,31+,32+,34+,35-,36+,37-/m1/s1 | 3 | |
| 1462 | 68 | 65 | | | 834.545305176 | [H][C@]1(O[C@@]2([H])[C@H](C)[C@@H](O[C@]3([H])O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@]([H])(C)[C@]3([H])N[C@@H](COCCOC)O[C@]([H])([C@@]3([H])C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@](C)(OC)[C@@H](O)[C@H](C)O1 | | InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1 | 4 | |
| 1463 | 60 | 58 | | | 836.524569732 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 | 3 | |
| 1464 | 55 | 53 | | | 733.461241204 | [H][C@]1(O[C@H]2[C@H](C)[C@@H](O[C@]3([H])O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[ |