aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13451 | -0.97 | 278.25 | C11H12O4N5 | COC(=O)CCNC(=O)C1=C[N]c2nc(N)nc(O)c21 |
|
AD13452 | 1.6 | 133.15 | C8H7ON | [C-]#[N+]C(O)c1ccccc1 |
|
AD13453 | 2.85 | 396.45 | C21H24O4N4 | Nc1ncnc2c1C(=O)N(c1ccc(C3CCC(CC(=O)O)CC3)cc1)CCO2 |
|
AD13454 | -0.45 | 104.06 | C3H4O4 | O=C(O)CC(=O)O |
|
AD13455 | 3.28 | 243.33 | C14H13ONS | OCCN1c2ccccc2Sc2ccccc21 |
|
AD13456 | 0.83 | 137.19 | C7H11N3 | c1cc(C2CCCN2)n[nH]1 |
|
AD13457 | 1.56 | 193.25 | C8H9N4S | CC(C)Sc1ncnc2c1C=N[N]2 |
|
AD13458 | 8.61 | 682.83 | C44H38O2N6 | Nc1ccc(C2c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc2[nH]3)cc1 |
|
AD13459 | 2.41 | 231.3 | C13H17ON3 | CC(C)c1[nH]nc(O)c1Cc1ccc(N)cc1 |
|
AD13460 | 2.1 | 494.67 | C28H46O7 | CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(C)O |