aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19021 | 5.13 | 298.81 | C20H19OCl | Clc1c(Cc2ccc(C3CC3)cc2)ccc2c1CCCO2 |
|
AD19022 | 0.27 | 135.19 | C4H9O2NS | CNC(=O)OCCS |
|
AD19023 | 2.69 | 272.72 | C14H11N5Cl | Clc1ccccc1CCNc1ncnc2c1N=C[N]2 |
|
AD19024 | -0.14 | 276.3 | C13H16O3N4 | O=C(NCC(O)CNC(=O)c1ccc[nH]1)c1ccc[nH]1 |
|
AD19025 | -0.32 | 89.09 | C3H7O2N | CONC(C)=O |
|
AD19026 | 3.37 | 290.75 | C17H15O3Cl | COc1ccc(Cc2ccc3c(c2Cl)C(O)CO3)cc1 |
|
AD19027 | 12.91 | 652.15 | C42H85O3N | CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC |
|
AD19028 | 5.47 | 476.74 | C30H52O4 | CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C |
|
AD19029 | 1.58 | 153.25 | C8H11NS | NCc1ccc(CS)cc1 |
|
AD19030 | 0.85 | 123.15 | C7H9ON | NCc1ccccc1O |