aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05521 | -0.83 | 109.15 | C2H7O2NS | CNS(C)(=O)=O |
|
AD05522 | -0.8 | 70.05 | CH2N4 | c1nnn[nH]1 |
|
AD05523 | 3.52 | 1139.96 | C56H52O16N8Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC#N)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)OC)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD05524 | 2.87 | 308.36 | C17H18ON5 | Cc1cc(C)cc(-c2nc3c(c(NC4CCOC4)n2)N=C[N]3)c1 |
|
AD05525 | -4.0 | 325.27 | C11H19O10N | COC(=O)NC1C(O)C(O)C(C(=O)O)OC1C(O)C(O)CO |
|
AD05526 | 2.42 | 143.19 | C10H9N | Nc1ccc2ccccc2c1 |
|
AD05527 | 1.1 | 232.32 | C12H24O4 | OCCCOC1CCCC(OCCCO)C1 |
|
AD05528 | -3.07 | 560.61 | C23H40O10N6 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O |
|
AD05529 | 5.32 | 474.73 | C30H50O4 | CC1(CO)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1 |
|
AD05530 | -2.26 | 386.49 | C18H34O5N4 | C#CCCCCOC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)CC1N |