aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14781 | 3.19 | 412.19 | C12H7O2N5SI | O=[N+]([O-])c1ccc(CSc2nc(I)nc3c2N=C[N]3)cc1 |
|
AD14782 | 7.85 | 822.06 | C45H67O9N5 | CN(CCO)c1cc(N2CCN(CC(=O)OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] |
|
AD14783 | 4.35 | 444.36 | C19H26O8P2 | COP(=O)(O)OP(=O)(O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12 |
|
AD14784 | -0.07 | 398.46 | C22H26O5N2 | O=C(Cc1ccccc1)NC1CC(NC(=O)Cc2ccccc2)C(O)C(O)C1O |
|
AD14785 | 1.4 | 139.2 | C7H7OS | [O-][S+]Cc1ccccc1 |
|
AD14786 | 1.12 | 167.21 | C9H13O2N | CNCc1ccc(OC)c(O)c1 |
|
AD14787 | 8.23 | 1477.33 | C79H67O18N9Cl2 | CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CN2CCN(Cc4ccc(-c5ccccc5)cc4)CC2)c1O)C(C(=O)O)NC3=O |
|
AD14788 | 2.68 | 360.41 | C20H24O6 | CC1=C(C(=O)O)C2CC(=O)c3cc(CC(C)O)c(O)c(O)c3C2(C)CC1 |
|
AD14789 | 0.39 | 187.22 | C7H9O3NS | NCc1ccccc1S(=O)(=O)O |
|
AD14790 | 4.94 | 493.69 | C27H41O6S | CC(C)=CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C |