aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03531 | 2.34 | 304.34 | C16H14N7 | CNc1nc(-c2cnn(Cc3ccccc3)c2)nc2c1N=C[N]2 |
|
AD03532 | -4.07 | 397.38 | C8H13O12S3 | O=S(=O)([O-])CC1OC(O)C(CS(=O)(=O)[O-])C(CS(=O)(=O)[O-])C1O |
|
AD03533 | 1.08 | 194.24 | C7H8N5S | CCSc1nc(N)nc2c1N=C[N]2 |
|
AD03534 | 2.21 | 116.2 | C7H16O | CCCCCCOC |
|
AD03535 | -4.87 | 937.07 | C44H64O11N12 | CC(c1ccccc1)C1NC(=O)CNC(=O)C(COC(=O)CCC2CCCC2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O |
|
AD03536 | -0.23 | 280.32 | C14H20O4N2 | COCC(=O)N(CC(=O)NCCO)Cc1ccccc1 |
|
AD03537 | 1.52 | 371.2 | C14H13O8P2 | COP(=O)([O-])OC(c1cccc(Oc2ccccc2)c1)P(=O)([O-])[O-] |
|
AD03538 | 1.42 | 220.18 | C11H8O5 | CC(=O)Oc1cc2oc(=O)ccc2cc1O |
|
AD03539 | 3.4 | 761.01 | C41H68O9N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCNc3ccnc4ccccc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD03540 | 3.05 | 741.94 | C38H64O10N3F | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccc(F)cc2)C1(C)O |