aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03121 | 2.66 | 465.55 | C23H35O7N3 | CC(=O)OCCNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C |
|
AD03122 | 7.16 | 642.94 | C39H64O6N | CCCCCCC[N+](C)(C)C1CCC(OC2CCCC(CC)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)OC1C |
|
AD03123 | 1.29 | 604.78 | C30H56O10N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOC)C(C)C(O)C1(C)O |
|
AD03124 | 4.76 | 1269.07 | C64H55O17N9Cl2 | NCCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD03125 | -0.67 | 327.38 | C15H25O5N3 | CCCCCNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1 |
|
AD03126 | 4.97 | 1283.1 | C65H57O17N9Cl2 | CN(C)CCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD03127 | 5.34 | 477.99 | C28H28O3N3Cl | CC(Cl)C1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21 |
|
AD03128 | 4.79 | 964.16 | C53H73O15N | CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1 |
|
AD03129 | 2.06 | 158.18 | C9H8N3 | C1=C(Cc2ccccc2)N=N[N]1 |
|
AD03130 | 0.69 | 229.27 | C11H13N6 | C1=Nc2c(ncnc2NC2CC3CCC2N3)[N]1 |