aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05441 | 3.74 | 190.29 | C13H18O | COc1ccc(C2CCCCC2)cc1 |
|
AD05442 | 2.18 | 262.34 | C10H8N5S2 | C1=Nc2c(CCSc3nccs3)ncnc2[N]1 |
|
AD05443 | 3.98 | 380.85 | C18H17O4N2ClS | Nc1c(OCCCO)cccc1OCc1cc(-c2ccc(Cl)s2)on1 |
|
AD05444 | -0.23 | 96.09 | C4H4ON2 | O=c1nccc[nH]1 |
|
AD05445 | 1.9 | 346.38 | C19H22O6 | O=C(Cc1ccc(O)cc1)OCC1CCC2C(C(=O)O)=CCC(O)C12 |
|
AD05446 | 2.76 | 529.72 | C27H45O8S | CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)[O-])CC3C(O)CC12O |
|
AD05447 | 2.99 | 412.57 | C22H40O5N2 | CCCCCCCCCCCCCCCC(=O)OCC1NC(=O)C(CO)NC1=O |
|
AD05448 | 1.97 | 254.27 | C13H12ON5 | C1=Nc2c(ncnc2NOCCc2ccccc2)[N]1 |
|
AD05449 | 2.47 | 242.27 | C15H14O3 | O=C(O)Cc1cccc(-c2ccc(CO)cc2)c1 |
|
AD05450 | 1.32 | 282.28 | C14H12O2N5 | COc1ccccc1C(=O)NCc1ncnc2c1N=C[N]2 |