aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08731 | 3.15 | 346.42 | C20H26O5 | CC1=CCC23CCC(C(C)(C=CC=C(C)C(=O)O)OC2=O)C3(O)CC1 |
|
AD08732 | 1.46 | 285.24 | C12H9O3N6 | Nc1nc2c(c(OCc3ccccc3[N+](=O)[O-])n1)N=C[N]2 |
|
AD08733 | -3.61 | 193.2 | C7H15O5N | OCC1NC(CO)C(O)C(O)C1O |
|
AD08734 | 0.37 | 718.79 | C36H43O7N8F | NC1CC(NC(=O)CCc2cn(Cc3cccc(CN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)c3)nn2)C(O)C(O)C1O |
|
AD08735 | 0.99 | 384.47 | C20H32O7 | CC1C=CC(=O)OC(C)C(CO)C2OC2CCC(=O)C(C)(O)CC(C)C1O |
|
AD08736 | -0.66 | 131.16 | C4H5O2NS | O=C1C[S+]([O-])C=CN1 |
|
AD08737 | 0.88 | 590.8 | C30H58O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NC)C(C)C(O)C1(C)O |
|
AD08738 | 2.79 | 276.68 | C13H8N5FCl | Fc1ccc(CNc2ncnc3c2N=C[N]3)cc1Cl |
|
AD08739 | 1.58 | 293.08 | C8H10O2N2I | CCCCOC(=O)C1=N[N]C=C1I |
|
AD08740 | 5.08 | 539.71 | C31H39ON8 | CC(C)N(CCNC(=O)NCc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)C1CCCC1 |