aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12901 | 1.52 | 291.3 | C14H11N8 | Cc1ccccc1-c1cn(-c2nc(N)c3c(n2)[N]C=N3)nn1 |
|
AD12902 | -0.46 | 344.28 | C8H8O11S2 | COC(=O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1 |
|
AD12903 | -0.55 | 330.25 | C7H6O11S2 | O=C(O)c1cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c1 |
|
AD12904 | -0.36 | 422.39 | C20H22O10 | COC(=O)C1=COC(O)C2C(CO)C(OC(=O)C=Cc3ccc(O)c(O)c3)C(O)C12 |
|
AD12905 | 6.43 | 488.75 | C31H52O4 | COC(C)(C)CCCC(O)(CO)C1CCC2(C)C1CCC1C3=C(CCC12C)C(C)(C)C1CCC3O1 |
|
AD12906 | 13.61 | 694.18 | C44H87O4N | CCCCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)O |
|
AD12907 | 3.13 | 550.69 | C30H46O9 | CCCC(=O)OC1CC2CC(O)CC(CC(C)C=CC=CCC3OC(CC3C)C(O)CC3CC1(O)C(=O)O3)O2 |
|
AD12908 | 2.83 | 464.6 | C26H40O7 | CC1C=CC=CCC2OC(CC2C)C(O)CC(CO)OC(=O)C=CCC2CC(O)CC(C1)O2 |
|
AD12909 | 3.37 | 396.44 | C23H24O6 | C=C1CC(OC(=O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(C)=C(O)CC12 |
|
AD12910 | 3.09 | 374.47 | C21H24N7 | C1=Nc2c(ncnc2NCCc2cn(CCN3CCCC3)c3ccccc23)[N]1 |