aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16611 | 7.43 | 543.07 | C36H27O2N2Cl | O=c1n(-c2ccc(Cc3ccccc3Cl)cc2)cc(O)n1C(c1ccccc1)(c1ccccc1)c1ccccc1 |
|
AD16612 | -2.62 | 182.2 | C4H10O4N2S | CS(=O)(=O)NC(=O)C(N)CO |
|
AD16613 | 0.43 | 325.31 | C10H11O4N7S | NC(=O)CCCC(=O)Nc1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1 |
|
AD16614 | 2.37 | 376.41 | C20H24O7 | O=COC(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1 |
|
AD16615 | 0.59 | 477.23 | C12H16O8N5F3P2 | COP(=O)(O)C(F)(F)P(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(F)C1O |
|
AD16616 | 2.83 | 274.39 | C15H24N5 | CCCCN(CCCC)CCc1ncnc2c1N=C[N]2 |
|
AD16617 | 4.69 | 312.84 | C21H21OCl | C#CCOCCc1ccc(Cc2ccc(CC)cc2)c(Cl)c1 |
|
AD16618 | 1.88 | 343.38 | C19H21O5N | C=CC1C(O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4C3CC21 |
|
AD16619 | 1.33 | 258.3 | C13H16ON5 | CCNc1nc(C#CCCCCO)nc2c1N=C[N]2 |
|
AD16620 | 5.2 | 373.58 | C21H43O4N | CCCCCCCCCCCCCCCCOCC(CO)NC(=O)OC |