55 KiB
55 KiB
| 1 | num_bonds | num_atoms | _original_file | _batch_id | mol_weight | smiles | _source_file | inchi | num_rings | _ring_size |
|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 42 | 39 | 569.1574589779999 | 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)CCCCOC1=O | InChI=1S/C24H29FN3O10P/c1-15-21(31)34-13-7-6-10-19(30)37-20-17(14-35-39(33,27-15)38-16-8-4-3-5-9-16)36-22(24(20,2)25)28-12-11-18(29)26-23(28)32/h3-5,8-9,11-12,15,17,20,22H,6-7,10,13-14H2,1-2H3,(H,27,33)(H,26,29,32)/t15-,17+,20+,22+,24+,39-/m0/s1 | 4 | ||||
| 3 | 18 | 18 | 256.167459248 | CC1COC(=O)CCCCCCCCC(=O)OC1 | InChI=1S/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3 | 1 | ||||
| 4 | 54 | 54 | 780.5711259999998 | CC[C@H]1OC(=O)[C@H](C)[C@@H](C[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](C[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.O.O | InChI=1S/C40H76N2O10.2H2O/c1-15-33-40(10,48)35(44)26(6)42(13)21-22(2)19-38(8,47)30(18-32-34(43)31(41(11)12)16-23(3)50-32)24(4)29(25(5)37(46)52-33)17-28-20-39(9,49-14)36(45)27(7)51-28;;/h22-36,43-45,47-48H,15-21H2,1-14H3;2*1H2/t22-,23-,24+,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,38+,39-,40-;;/m1../s1 | 3 | ||||
| 5 | 18 | 18 | 256.167459248 | CC1COC(=O)CCCCCCCCC(=O)OC1 | InChI=1S/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3 | 1 | ||||
| 6 | 54 | 52 | 748.5085257439999 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | ||||
| 7 | 54 | 52 | 748.5085257439999 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | ||||
| 8 | 60 | 58 | 805.5663749679999 | [H]C1(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)NCC(C)CC(C)(O)C(OC3([H])OC(C)CC(N(C)C)C3O)C2C)CC(C)(OC)C(O)(CNCCC)C(C)O1 | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3 | 3 | ||||
| 9 | 39 | 39 | 557.3676155919999 | CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(C)C(O)C1C | InChI=1S/C28H51N3O8/c1-7-8-9-10-11-12-13-14-21-17(4)24(34)18(5)25(35)30-22(16(2)3)26(36)31-23(19(6)33)27(37)29-20(15-32)28(38)39-21/h16-24,32-34H,7-15H2,1-6H3,(H,29,37)(H,30,35)(H,31,36) | 1 | ||||
| 10 | 42 | 39 | 569.1574589779999 | 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)CCCCOC1=O | InChI=1S/C24H29FN3O10P/c1-15-21(31)34-13-7-6-10-19(30)37-20-17(14-35-39(33,27-15)38-16-8-4-3-5-9-16)36-22(24(20,2)25)28-12-11-18(29)26-23(28)32/h3-5,8-9,11-12,15,17,20,22H,6-7,10,13-14H2,1-2H3,(H,27,33)(H,26,29,32)/t15-,17+,20+,22+,24+,39-/m0/s1 | 4 | ||||
| 11 | 54 | 52 | 748.5085257439999 | 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](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C(C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28?,29-,30+,31-,32+,33-,35+,36?,37-,38-/m1/s1 | 3 | ||||
| 12 | 53 | 51 | 734.4928756800001 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(NC)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)39(12)18-19(2)16-35(8,44)32(51-34-28(40)25(38-11)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3 | 3 | ||||
| 13 | 56 | 54 | 748.508525744 | [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)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@](C)(OC)[C@@H](O)[C@H](C)O1 | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35-,36?,37-,38-/m1/s1 | 3 | ||||
| 14 | 54 | 52 | 748.5085257439999 | CC[C@@H]1OC(=O)C(C)[C@H](OC2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21?,22?,23?,24-,25?,26?,27+,28?,29-,30-,31-,32+,33-,35?,36+,37-,38-/m1/s1 | 3 | ||||
| 15 | 48 | 42 | 598.0715869040001 | [H]C12C3=COC=CC1OC(=O)c1ccc(OC)c(c1)Oc1cc(ccc1O)C(O)C14SSC(C(=O)N1C)(C3O)N2C4=O | InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3 | 8 | ||||
| 16 | 42 | 42 | 599.378180276 | CCCCCCCCCC1OC(=O)C(COC(C)=O)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(C)C(O)C1C | InChI=1S/C30H53N3O9/c1-8-9-10-11-12-13-14-15-23-18(4)26(36)19(5)27(37)32-24(17(2)3)28(38)33-25(20(6)34)29(39)31-22(30(40)42-23)16-41-21(7)35/h17-20,22-26,34,36H,8-16H2,1-7H3,(H,31,39)(H,32,37)(H,33,38) | 1 | ||||
| 17 | 53 | 51 | 734.4928756800001 | 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)(O)C[C@@H](C)CN[C@H](C)[C@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26?,27+,28-,29+,30+,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | ||||
| 18 | 64 | 61 | 888.501726112 | 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)S(=O)(=O)c3ccc(C)cc3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C44H76N2O14S/c1-15-33-44(11,52)37(48)29(7)45(12)23-25(3)21-42(9,51)39(27(5)36(28(6)40(50)58-33)59-34-22-43(10,55-14)38(49)30(8)57-34)60-41-35(47)32(20-26(4)56-41)46(13)61(53,54)31-18-16-24(2)17-19-31/h16-19,25-30,32-39,41,47-49,51-52H,15,20-23H2,1-14H3/t25-,26-,27+,28-,29-,30+,32+,33-,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1 | 4 | ||||
| 19 | 67 | 64 | 931.5075397640002 | 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)S(=O)(=O)c3ccc(NC(C)=O)cc3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C45H77N3O15S/c1-15-34-45(11,55)38(51)28(6)47(12)23-24(2)21-43(9,54)40(26(4)37(27(5)41(53)61-34)62-35-22-44(10,58-14)39(52)29(7)60-35)63-42-36(50)33(20-25(3)59-42)48(13)64(56,57)32-18-16-31(17-19-32)46-30(8)49/h16-19,24-29,33-40,42,50-52,54-55H,15,20-23H2,1-14H3,(H,46,49)/t24-,25-,26+,27-,28-,29+,33+,34-,35+,36-,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1 | 4 | ||||
| 20 | 66 | 61 | 857.2742282840001 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C3[C@@H](OC(C)=O)[C@@]14OC3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28?,29+,30-,31+,32-,33+,34-,38?,39-,40+,41-/m0/s1 | 6 | ||||
| 21 | 47 | 41 | 598.071586904 | COc1ccc2cc1Oc1cc(ccc1O)[C@H](O)[C@]13SS[C@@]4(C(=O)N1C)[C@H](O)C1=COC=CC(OC2=O)[C@H]1N4C3=O | InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3/t17?,20-,21-,22+,26+,27+/m0/s1 | 8 | ||||
| 22 | 71 | 66 | 925.3004430320001 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(OC(=O)c1ccccc1)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O | InChI=1S/C45H51NO20/c1-22(47)57-21-44-36(62-26(5)51)32(59-23(2)48)31-34(61-25(4)50)45(44)43(9,56)35(33(60-24(3)49)37(44)63-27(6)52)64-40(55)41(7,65-38(53)28-14-11-10-12-15-28)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3 | 6 | ||||
| 23 | 64 | 59 | 825.284399044 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccccc1)C4(C)O | InChI=1S/C41H47NO17/c1-20-15-16-27-26(14-11-17-42-27)37(50)53-18-38(6)28-29(54-22(3)44)33(56-24(5)46)40(19-52-21(2)43)34(58-36(49)25-12-9-8-10-13-25)30(55-23(4)45)32(57-35(20)48)39(7,51)41(40,59-38)31(28)47/h8-14,17,20,28-34,47,51H,15-16,18-19H2,1-7H3 | 6 | ||||
| 24 | 68 | 63 | 883.289878348 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29?,30-,31+,32+,33+,34-,35+,39?,40+,41+,42-,43+/m1/s1 | 6 | ||||
| 25 | 42 | 41 | 590.414231436 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3 | 2 | ||||
| 26 | 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=O)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H70N2O13/c1-14-27-38(10,47)31(43)24(6)39(11)18-20(2)16-36(8,46)33(53-35-29(42)26(40(12)19-41)15-21(3)49-35)22(4)30(23(5)34(45)51-27)52-28-17-37(9,48-13)32(44)25(7)50-28/h19-33,35,42-44,46-47H,14-18H2,1-13H3 | 3 | ||||
| 27 | 67 | 64 | 931.5075397640003 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C45H77N3O15S/c1-15-34-45(11,55)38(51)28(6)47(12)23-24(2)21-43(9,54)40(26(4)37(27(5)41(53)61-34)62-35-22-44(10,58-14)39(52)29(7)60-35)63-42-36(50)33(20-25(3)59-42)48(13)64(56,57)32-18-16-31(17-19-32)46-30(8)49/h16-19,24-29,33-40,42,50-52,54-55H,15,20-23H2,1-14H3,(H,46,49) | 4 | ||||
| 28 | 52 | 50 | 720.477225616 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C36H68N2O12/c1-13-25-36(10,44)29(40)22(6)38(11)17-18(2)15-34(8,43)31(50-33-27(39)24(37)14-19(3)46-33)20(4)28(21(5)32(42)48-25)49-26-16-35(9,45-12)30(41)23(7)47-26/h18-31,33,39-41,43-44H,13-17,37H2,1-12H3 | 3 | ||||
| 29 | 53 | 51 | 734.4928756800001 | CCC1OC(=O)C(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,46)30(41)23(6)39(13)18-19(2)16-36(9,45)32(51-34-28(40)25(38(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-35(8,44)31(42)24(7)48-27/h19-32,34,40-42,44-46H,14-18H2,1-13H3 | 3 | ||||
| 30 | 53 | 51 | 732.513611124 | 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)CN(C)[C@H](C)[C@H](O)[C@H]1C | InChI=1S/C38H72N2O11/c1-15-28-22(4)30(41)25(7)40(13)19-20(2)17-37(9,45)34(51-36-31(42)27(39(11)12)16-21(3)47-36)23(5)32(24(6)35(44)49-28)50-29-18-38(10,46-14)33(43)26(8)48-29/h20-34,36,41-43,45H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,36+,37-,38-/m1/s1 | 3 | ||||
| 31 | 52 | 50 | 698.3050749120001 | CCC(C)C1OC(=O)C(C)(C)C(O)C(Cc2ccccc2)OC(=O)C(C(C)C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O | InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42) | 3 | ||||
| 32 | 75 | 69 | 967.2746222080003 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(OC(=O)c1ccoc1)C(=O)OC(C(OC(=O)c1ccoc1)C2OC(C)=O)C4(C)O | InChI=1S/C46H49NO22/c1-22(48)60-21-45-36(64-25(4)51)32(62-23(2)49)31-34(63-24(3)50)46(45)44(8,57)35(33(37(45)65-26(5)52)66-38(53)27-12-16-58-18-27)67-41(56)42(6,68-39(54)28-13-17-59-19-28)14-11-30-29(10-9-15-47-30)40(55)61-20-43(31,7)69-46/h9-10,12-13,15-19,31-37,57H,11,14,20-21H2,1-8H3 | 7 | ||||
| 33 | 53 | 51 | 732.5136111239999 | 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)CN(C)C(C)C(O)C1C | InChI=1S/C38H72N2O11/c1-15-28-22(4)30(41)25(7)40(13)19-20(2)17-37(9,45)34(51-36-31(42)27(39(11)12)16-21(3)47-36)23(5)32(24(6)35(44)49-28)50-29-18-38(10,46-14)33(43)26(8)48-29/h20-34,36,41-43,45H,15-19H2,1-14H3 | 3 | ||||
| 34 | 55 | 53 | 762.524175808 | CCCC1OC(=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)CN(C)C(C)C(O)C1(C)O | InChI=1S/C39H74N2O12/c1-15-16-28-39(10,47)32(43)25(6)41(13)20-21(2)18-37(8,46)34(53-36-30(42)27(40(11)12)17-22(3)49-36)23(4)31(24(5)35(45)51-28)52-29-19-38(9,48-14)33(44)26(7)50-29/h21-34,36,42-44,46-47H,15-20H2,1-14H3 | 3 | ||||
| 35 | 61 | 57 | 805.2793136639999 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O | InChI=1S/C38H47NO18/c1-17-12-13-25-24(11-10-14-39-25)34(47)50-15-35(8)26-27(51-19(3)41)31(54-22(6)44)37(16-49-18(2)40)32(55-23(7)45)28(52-20(4)42)30(56-33(17)46)36(9,48)38(37,57-35)29(26)53-21(5)43/h10-11,14,17,26-32,48H,12-13,15-16H2,1-9H3 | 5 | ||||
| 36 | 67 | 62 | 873.2691429040001 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)OC(C(OC(=O)c1ccoc1)C2OC(C)=O)C4(C)O | InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3 | 6 | ||||
| 37 | 65 | 60 | 839.2636636000002 | CC(=O)OCC12C(OC(C)=O)C(=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)OC(C(OC(=O)c1ccccc1)C2OC(C)=O)C4(C)O | InChI=1S/C41H45NO18/c1-20(43)53-19-40-31(56-22(3)45)28(47)27-30(55-21(2)44)41(40)39(7,52)32(29(33(40)57-23(4)46)58-34(48)24-12-9-8-10-13-24)59-36(50)37(5,51)16-15-26-25(14-11-17-42-26)35(49)54-18-38(27,6)60-41/h8-14,17,27,29-33,51-52H,15-16,18-19H2,1-7H3 | 6 | ||||
| 38 | 53 | 51 | 734.49287568 | 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(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26?,27+,28-,29+,30-,31+,32?,34+,35-,36-,37-/m1/s1 | 3 | ||||
| 39 | 54 | 52 | 748.5085257439999 | 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(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27?,28+,29-,30+,31-,32+,33?,35+,36-,37-,38-/m1/s1 | 3 | ||||
| 40 | 58 | 56 | 805.566374968 | CCCNC[C@]1(O)[C@H](C)O[C@@H](OC2[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)NC[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]2C)C[C@@]1(C)OC | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33?,34-,35-,37+,38-,39-,40-,41+/m1/s1 | 3 | ||||
| 41 | 53 | 51 | 734.49287568 | CCC1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CNC(C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20?,21?,22-,23?,24?,25?,26?,27?,28-,29?,30-,31?,32-,34?,35-,36?,37-/m1/s1 | 3 | ||||
| 42 | 54 | 52 | 748.5085257439999 | 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)(O)C[C@@H](C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24?,25+,26+,27?,28+,29-,30+,31?,32+,33-,35+,36-,37-,38?/m1/s1 | 3 | ||||
| 43 | 53 | 51 | 734.49287568 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20?,21+,22-,23-,24?,25?,26-,27?,28?,29?,30-,31?,32?,34?,35-,36?,37-/m1/s1 | 3 | ||||
| 44 | 54 | 52 | 748.5085257439999 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21?,22+,23-,24-,25?,26?,27-,28?,29?,30?,31-,32?,33?,35?,36-,37?,38-/m1/s1 | 3 | ||||
| 45 | 42 | 37 | 516.3087037479999 | C[C@@H]1C[C@]2(O)O[C@@]13CC[C@]1(C)C4=C(CC[C@]31C)[C@@]1(C)CCC(=O)[C@@](CO)(COC(=O)[C@H](C)[C@@H]2O)[C@@H]1CC4 | InChI=1S/C30H44O7/c1-17-14-30(35)23(33)18(2)24(34)36-16-28(15-31)21-7-6-20-19(25(21,3)10-9-22(28)32)8-11-27(5)26(20,4)12-13-29(17,27)37-30/h17-18,21,23,31,33,35H,6-16H2,1-5H3/t17-,18-,21-,23+,25-,26-,27+,28+,29+,30+/m1/s1 | 6 | ||||
| 46 | 42 | 37 | 518.3243538119999 | C[C@@H]1C[C@]2(O)O[C@@]13CC[C@]1(C)C4=C(CC[C@]31C)[C@@]1(C)CC[C@H](O)[C@@](CO)(COC(=O)[C@H](C)[C@@H]2O)[C@@H]1CC4 | InChI=1S/C30H46O7/c1-17-14-30(35)23(33)18(2)24(34)36-16-28(15-31)21-7-6-20-19(25(21,3)10-9-22(28)32)8-11-27(5)26(20,4)12-13-29(17,27)37-30/h17-18,21-23,31-33,35H,6-16H2,1-5H3/t17-,18-,21-,22+,23+,25-,26-,27+,28+,29+,30+/m1/s1 | 6 | ||||
| 47 | 55 | 53 | 764.503440364 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC([N+](C)(C)[O-])C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H72N2O13/c1-15-27-38(10,46)31(42)24(6)39(11)19-20(2)17-36(8,45)33(53-35-29(41)26(40(12,13)47)16-21(3)49-35)22(4)30(23(5)34(44)51-27)52-28-18-37(9,48-14)32(43)25(7)50-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 | 3 | ||||
| 48 | 66 | 61 | 857.2742282840002 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1CCC(C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H47NO19/c1-19-9-10-25-11-13-42-15-27(25)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)26-12-14-52-16-26)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h11-16,19,28-34,51H,9-10,17-18H2,1-8H3/t19?,28?,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1 | 6 | ||||
| 49 | 66 | 61 | 857.274228284 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cnccc1CCC(C)C(=O)OC(C(OC(=O)c1ccoc1)C2OC(C)=O)C4(C)O | InChI=1S/C41H47NO19/c1-19-9-10-25-11-13-42-15-27(25)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)26-12-14-52-16-26)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h11-16,19,28-34,51H,9-10,17-18H2,1-8H3 | 6 | ||||
| 50 | 18 | 18 | 256.167459248 | CC1COC(=O)CCCCCCCCC(=O)OC1 | InChI=1S/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3 | 1 | ||||
| 51 | 16 | 16 | 228.17254462799997 | O=C1CCCCCCCCCCOCCO1 | InChI=1S/C13H24O3/c14-13-9-7-5-3-1-2-4-6-8-10-15-11-12-16-13/h1-12H2 | 1 | ||||
| 52 | 54 | 52 | 748.5085257439998 | 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)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 | 3 | ||||
| 53 | 16 | 16 | 228.172544628 | O=C1CCCCCCCCCCOCCO1 | InChI=1S/C13H24O3/c14-13-9-7-5-3-1-2-4-6-8-10-15-11-12-16-13/h1-12H2 | 1 | ||||
| 54 | 18 | 18 | 256.167459248 | CC1COC(=O)CCCCCCCCC(=O)OC1 | InChI=1S/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3 | 1 | ||||
| 55 | 54 | 52 | 748.5085257439999 | 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)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 | 3 | ||||
| 56 | 16 | 16 | 228.172544628 | O=C1CCCCCCCCCCOCCO1 | InChI=1S/C13H24O3/c14-13-9-7-5-3-1-2-4-6-8-10-15-11-12-16-13/h1-12H2 | 1 | ||||
| 57 | 18 | 18 | 256.167459248 | CC1COC(=O)CCCCCCCCC(=O)OC1 | InChI=1S/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3 | 1 | ||||
| 58 | 54 | 52 | 746.5292611880001 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C39H74N2O11/c1-16-29-39(11,46)32(42)26(7)41(14)20-21(2)18-37(9,45)34(52-36-23(4)28(40(12)13)17-22(3)48-36)24(5)31(25(6)35(44)50-29)51-30-19-38(10,47-15)33(43)27(8)49-30/h21-34,36,42-43,45-46H,16-20H2,1-15H3/t21-,22?,23?,24+,25-,26-,27?,28?,29-,30?,31?,32-,33?,34?,36?,37-,38?,39-/m1/s1 | 3 | ||||
| 59 | 60 | 58 | 805.566374968 | [H]C1(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)NCC(C)CC(C)(O)C(OC3([H])OC(C)CC(N(C)C)C3O)C2C)CC(C)(OC)C(O)(CNCCC)C(C)O1 | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3 | 3 | ||||
| 60 | 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)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33-,34-,35+,36-,40-,41-,42+,43-/m0/s1 | 6 | ||||
| 61 | 66 | 61 | 857.274228284 | 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)c1cccnc1CCC(C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19?,28-,29-,30+,31+,32+,33-,34+,38+,39+,40-,41+/m1/s1 | 6 | ||||
| 62 | 67 | 62 | 873.269142904 | 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)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28-,29+,30+,31+,32-,33+,37-,38+,39+,40-,41+/m1/s1 | 6 | ||||
| 63 | 65 | 60 | 839.2636636000001 | 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)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H45NO18/c1-20(43)53-19-40-31(56-22(3)45)28(47)27-30(55-21(2)44)41(40)39(7,52)32(29(33(40)57-23(4)46)58-34(48)24-12-9-8-10-13-24)59-36(50)37(5,51)16-15-26-25(14-11-17-42-26)35(49)54-18-38(27,6)60-41/h8-14,17,27,29-33,51-52H,15-16,18-19H2,1-7H3/t27-,29+,30+,31-,32+,33+,37-,38+,39+,40-,41+/m1/s1 | 6 | ||||
| 64 | 75 | 69 | 967.2746222080001 | 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)c1cccnc1CC[C@@](C)(OC(=O)c1ccoc1)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C46H49NO22/c1-22(48)60-21-45-36(64-25(4)51)32(62-23(2)49)31-34(63-24(3)50)46(45)44(8,57)35(33(37(45)65-26(5)52)66-38(53)27-12-16-58-18-27)67-41(56)42(6,68-39(54)28-13-17-59-19-28)14-11-30-29(10-9-15-47-30)40(55)61-20-43(31,7)69-46/h9-10,12-13,15-19,31-37,57H,11,14,20-21H2,1-8H3/t31-,32-,33+,34+,35+,36-,37+,42-,43+,44+,45-,46+/m1/s1 | 7 | ||||
| 65 | 71 | 66 | 925.300443032 | 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)c1cccnc1CC[C@@](C)(OC(=O)c1ccccc1)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C45H51NO20/c1-22(47)57-21-44-36(62-26(5)51)32(59-23(2)48)31-34(61-25(4)50)45(44)43(9,56)35(33(60-24(3)49)37(44)63-27(6)52)64-40(55)41(7,65-38(53)28-14-11-10-12-15-28)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3/t31-,32-,33+,34+,35+,36-,37+,41-,42+,43+,44-,45+/m1/s1 | 6 | ||||
| 66 | 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)c1cccnc1CC[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/c1-17-12-13-25-24(11-10-14-39-25)34(47)50-15-35(8)26-27(51-19(3)41)31(54-22(6)44)37(16-49-18(2)40)32(55-23(7)45)28(52-20(4)42)30(56-33(17)46)36(9,48)38(37,57-35)29(26)53-21(5)43/h10-11,14,17,26-32,48H,12-13,15-16H2,1-9H3/t17-,26+,27+,28-,29-,30-,31+,32-,35-,36-,37+,38-/m0/s1 | 5 | ||||
| 67 | 68 | 63 | 883.289878348 | 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)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32+,33+,34-,35+,39-,40+,41+,42-,43+/m1/s1 | 6 | ||||
| 68 | 54 | 52 | 748.508525744 | 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)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 | 3 | ||||
| 69 | 54 | 52 | 748.5085257439999 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | ||||
| 70 | 56 | 54 | 776.539825872 | CCCN1CC(C)C(O)C(C)(O)C(CC)OC(=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)CC1C | InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3 | 3 | ||||
| 71 | 66 | 61 | 857.274228284 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(=O)c1ccoc1)C2OC(C)=O)C4(C)O | InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3 | 6 | ||||
| 72 | 68 | 66 | 734.4928756800005 | [H][C@]1(C)CN[C@]([H])(C)[C@]([H])(O)[C@](C)(O)[C@@]([H])(CC)OC(=O)[C@]([H])(C)[C@@]([H])(O[C@@]2([H])C[C@@](C)(OC)[C@@]([H])(O)[C@]([H])(C)O2)[C@]([H])(C)[C@@]([H])(O[C@]2([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]2([H])O)[C@](C)(O)C1 | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30+,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | ||||
| 73 | 52 | 50 | 720.477225616 | 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@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C36H68N2O12/c1-13-25-36(10,44)29(40)22(6)38(11)17-18(2)15-34(8,43)31(50-33-27(39)24(37)14-19(3)46-33)20(4)28(21(5)32(42)48-25)49-26-16-35(9,45-12)30(41)23(7)47-26/h18-31,33,39-41,43-44H,13-17,37H2,1-12H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 | 3 | ||||
| 74 | 55 | 53 | 764.503440364 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O13/c1-15-27-38(10,46)31(42)24(6)39(11)19-20(2)17-36(8,45)33(53-35-29(41)26(40(12,13)47)16-21(3)49-35)22(4)30(23(5)34(44)51-27)52-28-18-37(9,48-14)32(43)25(7)50-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | ||||
| 75 | 53 | 51 | 734.4928756800001 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)39(12)18-19(2)16-35(8,44)32(51-34-28(40)25(38-11)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | ||||
| 76 | 55 | 53 | 762.4877903 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H70N2O13/c1-14-27-38(10,47)31(43)24(6)39(11)18-20(2)16-36(8,46)33(53-35-29(42)26(40(12)19-41)15-21(3)49-35)22(4)30(23(5)34(45)51-27)52-28-17-37(9,48-13)32(44)25(7)50-28/h19-33,35,42-44,46-47H,14-18H2,1-13H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | ||||
| 77 | 69 | 64 | 873.2691429040002 | [H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@]([H])([C@H](OC(=O)c1ccoc1)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28-,29+,30-,31+,32-,33+,37-,38+,39+,40-,41+/m1/s1 | 6 | ||||
| 78 | 18 | 18 | 256.167459248 | CC1COC(=O)CCCCCCCCC(=O)OC1 | InChI=1S/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3 | 1 | ||||
| 79 | 58 | 56 | 805.566374968 | CCCNCC1(O)C(C)OC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)NCC(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C2C)CC1(C)OC | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3 | 3 | ||||
| 80 | 56 | 54 | 776.539825872 | CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=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]1C | InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1 | 3 | ||||
| 81 | 53 | 51 | 734.4928756800001 | 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)CNC(C)C(O)C1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3 | 3 | ||||
| 82 | 60 | 58 | 805.566374968 | [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)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@](C)(OC)[C@](O)(CNCCC)[C@H](C)O1 | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1 | 3 | ||||
| 83 | 67 | 62 | 867.2949637280002 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(=O)c1ccccc1)C2OC(C)=O)C4(C)O | InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3 | 6 | ||||
| 84 | 55 | 53 | 734.4928756800001 | [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)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@](C)(OC)[C@@H](O)[C@H](C)O1 | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | ||||
| 85 | 67 | 63 | 858.4902705640002 | [H][C@@]1(O[C@@H]2[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CC)C[C@@]3(C)OC(=O)N(CCCCn4cc(-c5cccc(N)c5)nn4)[C@]3([H])[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)O[C@H](C)C[C@H](N(C)C)[C@H]1O | InChI=1S/C44H67FN6O10/c1-12-31-23-42(6)36(51(41(56)61-42)19-14-13-18-50-24-32(47-48-50)29-16-15-17-30(46)21-29)27(4)34(52)25(2)22-43(7,57-11)38(28(5)37(54)44(8,45)40(55)59-31)60-39-35(53)33(49(9)10)20-26(3)58-39/h15-17,21,24-28,31,33,35-36,38-39,53H,12-14,18-20,22-23,46H2,1-11H3/t25-,26-,27+,28+,31-,33+,35-,36-,38-,39+,42-,43-,44+/m1/s1 | 5 | ||||
| 86 | 52 | 50 | 719.4455911400003 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(=O)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C36H65NO13/c1-13-25-36(10,44)29(40)22(6)37(11)17-18(2)15-34(8,43)31(50-33-27(39)24(38)14-19(3)46-33)20(4)28(21(5)32(42)48-25)49-26-16-35(9,45-12)30(41)23(7)47-26/h18-23,25-31,33,39-41,43-44H,13-17H2,1-12H3 | 3 | ||||
| 87 | 64 | 61 | 888.5017261120003 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)S(=O)(=O)c3ccc(C)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C44H76N2O14S/c1-15-33-44(11,52)37(48)29(7)45(12)23-25(3)21-42(9,51)39(27(5)36(28(6)40(50)58-33)59-34-22-43(10,55-14)38(49)30(8)57-34)60-41-35(47)32(20-26(4)56-41)46(13)61(53,54)31-18-16-24(2)17-19-31/h16-19,25-30,32-39,41,47-49,51-52H,15,20-23H2,1-14H3 | 4 | ||||
| 88 | 54 | 52 | 748.4721402360001 | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(NC=O)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C37H68N2O13/c1-13-26-37(10,46)30(42)23(6)39(11)17-19(2)15-35(8,45)32(52-34-28(41)25(38-18-40)14-20(3)48-34)21(4)29(22(5)33(44)50-26)51-27-16-36(9,47-12)31(43)24(7)49-27/h18-32,34,41-43,45-46H,13-17H2,1-12H3,(H,38,40) | 3 | ||||
| 89 | 68 | 63 | 857.2742282840002 | [H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@]([H])([C@H](OC(=O)c1ccoc1)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28+,29+,30-,31+,32-,33+,34-,38-,39-,40+,41-/m0/s1 | 6 | ||||
| 90 | 68 | 63 | 883.2898783480002 | CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)OC(C(OC(=O)c1ccccc1)C2OC(C)=O)C4(C)O | InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3 | 6 | ||||
| 91 | 35 | 34 | 469.31920885599993 | CCC(C)C1OC(=O)C(Cc2ccccc2)NC(=O)C(C)CC(C)=CC(C)C(O)C(C)=CC1C | InChI=1S/C29H43NO4/c1-8-19(3)27-22(6)16-21(5)26(31)20(4)14-18(2)15-23(7)28(32)30-25(29(33)34-27)17-24-12-10-9-11-13-24/h9-14,16,19-20,22-23,25-27,31H,8,15,17H2,1-7H3,(H,30,32) | 2 | ||||
| 92 | 54 | 54 | 780.5711259999998 | CC[C@H]1OC(=O)[C@H](C)[C@@H](C[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](C[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.O.O | InChI=1S/C40H76N2O10.2H2O/c1-15-33-40(10,48)35(44)26(6)42(13)21-22(2)19-38(8,47)30(18-32-34(43)31(41(11)12)16-23(3)50-32)24(4)29(25(5)37(46)52-33)17-28-20-39(9,49-14)36(45)27(7)51-28;;/h22-36,43-45,47-48H,15-21H2,1-14H3;2*1H2/t22-,23-,24+,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,38+,39-,40-;;/m1../s1 | 3 | ||||
| 93 | 54 | 52 | 748.5085257439998 | 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)(O)C[C@@H](C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24?,25+,26+,27?,28+,29-,30+,31?,32+,33-,35+,36-,37-,38?/m1/s1 | 3 | ||||
| 94 | 58 | 58 | 784.529655112 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.[H]O[H].[H]O[H] | InChI=1S/C38H72N2O12.2H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*1H2/t20-,21?,22+,23-,24-,25?,26?,27-,28?,29?,30?,31-,32?,33?,35?,36-,37?,38-;;/m1../s1 | 3 | ||||
| 95 | 53 | 51 | 734.4928756799999 | CCC1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CNC(C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20?,21?,22-,23?,24?,25?,26?,27?,28-,29?,30-,31?,32-,34?,35-,36?,37-/m1/s1 | 3 | ||||
| 96 | 54 | 52 | 748.5085257439998 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21?,22+,23-,24-,25?,26?,27-,28?,29?,30?,31-,32?,33?,35?,36-,37?,38-/m1/s1 | 3 | ||||
| 97 | 53 | 51 | 734.4928756799999 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20?,21+,22-,23-,24?,25?,26-,27?,28?,29?,30-,31?,32?,34?,35-,36?,37-/m1/s1 | 3 | ||||
| 98 | 54 | 52 | 746.5292611879999 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C39H74N2O11/c1-16-29-39(11,46)32(42)26(7)41(14)20-21(2)18-37(9,45)34(52-36-23(4)28(40(12)13)17-22(3)48-36)24(5)31(25(6)35(44)50-29)51-30-19-38(10,47-15)33(43)27(8)49-30/h21-34,36,42-43,45-46H,16-20H2,1-15H3/t21-,22?,23?,24+,25-,26-,27?,28?,29-,30?,31?,32-,33?,34?,36?,37-,38?,39-/m1/s1 | 3 | ||||
| 99 | 56 | 54 | 776.5398258719998 | CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=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]1C | InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1 | 3 | ||||
| 100 | 54 | 52 | 748.5085257439998 | 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)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 | 3 | ||||
| 101 | 18 | 18 | 256.167459248 | CC1COC(=O)CCCCCCCCC(=O)OC1 | InChI=1S/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3 | 1 | ||||
| 102 | 16 | 16 | 228.17254462799997 | O=C1CCCCCCCCCCOCCO1 | InChI=1S/C13H24O3/c14-13-9-7-5-3-1-2-4-6-8-10-15-11-12-16-13/h1-12H2 | 1 | ||||
| 103 | 42 | 39 | 569.1574589779999 | 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)CCCCOC1=O | InChI=1S/C24H29FN3O10P/c1-15-21(31)34-13-7-6-10-19(30)37-20-17(14-35-39(33,27-15)38-16-8-4-3-5-9-16)36-22(24(20,2)25)28-12-11-18(29)26-23(28)32/h3-5,8-9,11-12,15,17,20,22H,6-7,10,13-14H2,1-2H3,(H,27,33)(H,26,29,32)/t15-,17+,20+,22+,24+,39-/m0/s1 | 4 | ||||
| 104 | 58 | 56 | 805.566374968 | CCCNCC1(O)C(C)OC(O[C@@H]2[C@H](C)[C@H](OC3OC(C)CC(N(C)C)C3O)[C@@](C)(O)C[C@H](C)CN[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@@H]2C)CC1(C)OC | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24?,25-,26+,27-,28?,29?,30-,31?,32?,33+,34+,35-,37?,38-,39?,40-,41?/m0/s1 | 3 | ||||
| 105 | 53 | 51 | 732.5136111239999 | 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)CN(C)[C@H](C)[C@@H](O)[C@H]1C | InChI=1S/C38H72N2O11/c1-15-28-22(4)30(41)25(7)40(13)19-20(2)17-37(9,45)34(51-36-31(42)27(39(11)12)16-21(3)47-36)23(5)32(24(6)35(44)49-28)50-29-18-38(10,46-14)33(43)26(8)48-29/h20-34,36,41-43,45H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30+,31-,32+,33+,34-,36+,37-,38-/m1/s1 | 3 | ||||
| 106 | 42 | 39 | 569.1574589779999 | 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)CCCCOC1=O | InChI=1S/C24H29FN3O10P/c1-15-21(31)34-13-7-6-10-19(30)37-20-17(14-35-39(33,27-15)38-16-8-4-3-5-9-16)36-22(24(20,2)25)28-12-11-18(29)26-23(28)32/h3-5,8-9,11-12,15,17,20,22H,6-7,10,13-14H2,1-2H3,(H,27,33)(H,26,29,32)/t15-,17+,20+,22+,24+,39-/m0/s1 | 4 | ||||
| 107 | 66 | 61 | 857.274228284 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@@]4(C)O | InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19?,28?,29-,30+,31+,32+,33-,34+,38+,39-,40-,41+/m1/s1 | 6 | ||||
| 108 | 67 | 62 | 873.269142904 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@@]4(C)O | InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27?,28-,29+,30+,31+,32-,33+,37-,38+,39-,40-,41+/m1/s1 | 6 | ||||
| 109 | 42 | 39 | 569.1574589779999 | CC1NP(=O)(Oc2ccccc2)OCC2OC(n3ccc(=O)[nH]c3=O)C(C)(F)C2OC(=O)CCCCOC1=O | InChI=1S/C24H29FN3O10P/c1-15-21(31)34-13-7-6-10-19(30)37-20-17(14-35-39(33,27-15)38-16-8-4-3-5-9-16)36-22(24(20,2)25)28-12-11-18(29)26-23(28)32/h3-5,8-9,11-12,15,17,20,22H,6-7,10,13-14H2,1-2H3,(H,27,33)(H,26,29,32) | 4 | ||||
| 110 | 68 | 63 | 883.2898783480001 | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29?,30-,31+,32-,33+,34-,35+,39?,40+,41+,42-,43+/m1/s1 | 6 | ||||
| 111 | 60 | 58 | 805.5663749679999 | [H][C@@]1(O[C@H]2C(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)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@](C)(OC)[C@@](O)(CNCCC)[C@@H](C)O1 | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25?,26-,27-,28-,29+,30-,31-,32-,33+,34-,35-,37+,38-,39+,40-,41-/m1/s1 | 3 | ||||
| 112 | 53 | 51 | 734.4928756799999 | CCC1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CNC(C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20?,21?,22-,23?,24?,25?,26?,27?,28-,29?,30-,31?,32-,34?,35-,36?,37-/m1/s1 | 3 | ||||
| 113 | 54 | 52 | 748.5085257439998 | 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)(O)C[C@@H](C)CN(C)C(C)C(O)C1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24?,25+,26+,27?,28+,29-,30+,31?,32+,33-,35+,36-,37-,38?/m1/s1 | 3 | ||||
| 114 | 53 | 51 | 734.4928756799999 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20?,21+,22-,23-,24?,25?,26-,27?,28?,29?,30-,31?,32?,34?,35-,36?,37-/m1/s1 | 3 | ||||
| 115 | 54 | 52 | 748.5085257439998 | CC[C@H]1OC(=O)[C@H](C)C(OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)C(OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21?,22+,23-,24-,25?,26?,27-,28?,29?,30?,31-,32?,33?,35?,36-,37?,38-/m1/s1 | 3 | ||||
| 116 | 54 | 54 | 784.5296551119999 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.O.O | InChI=1S/C38H72N2O12.2H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*1H2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;/m1../s1 | 3 | ||||
| 117 | 54 | 52 | 748.5085257439998 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25-,26+,27-,28?,29-,30+,31-,32-,33-,35?,36?,37+,38-/m1/s1 | 3 | ||||
| 118 | 34 | 34 | 487.19302027599997 | CN1CCN(C)C(=O)C(c2ccccc2)CC=CCOC(=O)[C@@H](N)CC1=O.O=C(O)C(F)(F)F | InChI=1S/C20H27N3O4.C2HF3O2/c1-22-11-12-23(2)19(25)16(15-8-4-3-5-9-15)10-6-7-13-27-20(26)17(21)14-18(22)24;3-2(4,5)1(6)7/h3-9,16-17H,10-14,21H2,1-2H3;(H,6,7)/t16?,17-;/m0./s1 | 2 | ||||
| 119 | 28 | 29 | 425.177370212 | C[C@H]1CC(=O)NC(C)(C)C(=O)OCC=CC[C@@H](N)CC(=O)N1.O=C(O)C(F)(F)F | InChI=1S/C15H25N3O4.C2HF3O2/c1-10-8-13(20)18-15(2,3)14(21)22-7-5-4-6-11(16)9-12(19)17-10;3-2(4,5)1(6)7/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,19)(H,18,20);(H,6,7)/t10-,11+;/m0./s1 | 1 | ||||
| 120 | 67 | 62 | 867.2949637280002 | CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33?,34-,35+,36-,40-,41-,42-,43-/m0/s1 | 6 | ||||
| 121 | 66 | 61 | 857.2742282840001 | 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)c1cccnc1CCC(C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19?,28-,29-,30+,31+,32+,33-,34+,38+,39+,40-,41+/m1/s1 | 6 | ||||
| 122 | 54 | 52 | 748.5085257439999 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | ||||
| 123 | 58 | 56 | 805.566374968 | CCCNC[C@]1(O)[C@H](C)O[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@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1 | 3 | ||||
| 124 | 56 | 54 | 776.539825872 | CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=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]1C | InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1 | 3 | ||||
| 125 | 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)CN[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | ||||
| 126 | 54 | 54 | 784.5296551120001 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.O.O | InChI=1S/C38H72N2O12.2H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*1H2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;/m1../s1 | 3 | ||||
| 127 | 67 | 62 | 867.2949637280002 | CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33?,34-,35+,36-,40-,41-,42-,43-/m0/s1 | 6 | ||||
| 128 | 66 | 61 | 857.2742282840001 | 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)c1cccnc1CCC(C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19?,28-,29-,30+,31+,32+,33-,34+,38+,39+,40-,41+/m1/s1 | 6 | ||||
| 129 | 56 | 54 | 776.539825872 | CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=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]1C | InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1 | 3 | ||||
| 130 | 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)CN[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | 3 | ||||
| 131 | 54 | 52 | 748.5085257439999 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | 3 | ||||
| 132 | 58 | 56 | 805.566374968 | CCCNC[C@]1(O)[C@H](C)O[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@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC | InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1 | 3 | ||||
| 133 | 54 | 54 | 784.5296551120001 | 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.O.O | InChI=1S/C38H72N2O12.2H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*1H2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;/m1../s1 | 3 | ||||
| 134 | 35 | 34 | 469.319208856 | CCC(C)C1OC(=O)C(Cc2ccccc2)NC(=O)C(C)C/C(C)=C/C(C)C(O)/C(C)=C/C1C | InChI=1S/C29H43NO4/c1-8-19(3)27-22(6)16-21(5)26(31)20(4)14-18(2)15-23(7)28(32)30-25(29(33)34-27)17-24-12-10-9-11-13-24/h9-14,16,19-20,22-23,25-27,31H,8,15,17H2,1-7H3,(H,30,32)/b18-14+,21-16+ | 2 | ||||
| 135 | 39 | 39 | 557.3676155919999 | CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(C)C(O)C1C | InChI=1S/C28H51N3O8/c1-7-8-9-10-11-12-13-14-21-17(4)24(34)18(5)25(35)30-22(16(2)3)26(36)31-23(19(6)33)27(37)29-20(15-32)28(38)39-21/h16-24,32-34H,7-15H2,1-6H3,(H,29,37)(H,30,35)(H,31,36) | 1 | ||||
| 136 | 42 | 42 | 599.378180276 | CCCCCCCCCC1OC(=O)C(COC(C)=O)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(C)C(O)C1C | InChI=1S/C30H53N3O9/c1-8-9-10-11-12-13-14-15-23-18(4)26(36)19(5)27(37)32-24(17(2)3)28(38)33-25(20(6)34)29(39)31-22(30(40)42-23)16-41-21(7)35/h17-20,22-26,34,36H,8-16H2,1-7H3,(H,31,39)(H,32,37)(H,33,38) | 1 |