aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13171 | 1.14 | 367.36 | C20H17O6N | CC(=O)C1(N)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1ccccc1C3=O |
|
AD13172 | 1.34 | 710.91 | C37H62O11N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(=O)CNCc3ccccc3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O |
|
AD13173 | -0.47 | 155.16 | C6H9O2N3 | COc1cnn(C)c1C(N)=O |
|
AD13174 | 0.76 | 235.23 | C12H7N6 | Nc1nc(C#Cc2cccnc2)nc2c1N=C[N]2 |
|
AD13175 | 2.78 | 244.67 | C12H7N5Cl | Clc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD13176 | 1.46 | 219.2 | C11H9O4N | CC(=O)Nc1cc2ccc(O)cc2oc1=O |
|
AD13177 | -0.16 | 104.1 | C4H8O3 | CC(O)CC(=O)O |
|
AD13178 | 0.69 | 181.15 | C7H7O3N3 | NC(=NO)c1ccc([N+](=O)[O-])cc1 |
|
AD13179 | 1.09 | 432.43 | C22H24O9 | COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccccc1)C2(C)OC(C)=O |
|
AD13180 | 2.26 | 256.31 | C12H10N5S | Nc1nc(SCc2ccccc2)nc2c1N=C[N]2 |