aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44481 | 3.57 | 488.33 | C22H16ON8Br | Nc1ncnc2c1NC(=NN=C1C(=O)c3cc(Br)ccc3N1CC=Cc1ccccc1)[N]2 |
|
AD44482 | 3.06 | 462.29 | C20H14ON8Br | Nc1ncnc2c1NC(=NN=C1C(=O)c3cc(Br)ccc3N1Cc1ccccc1)[N]2 |
|
AD44483 | 1.77 | 248.26 | C12H8O4S | CC(=O)OC1=C(S)C(=O)c2ccccc2C1=O |
|
AD44484 | 1.26 | 252.25 | C11H8O5S | COC1=C(S)C(=O)c2c(O)ccc(O)c2C1=O |
|
AD44485 | 1.54 | 234.21 | C12H10O5 | Cc1c(C)c(O)c2c(c1O)C(=O)C=C(O)C2=O |
|
AD44486 | 1.58 | 206.22 | C10H6O3S | O=C1C=C(S)C(=O)c2c(O)cccc21 |
|
AD44487 | 1.98 | 220.25 | C11H8O3S | CC1=C(S)C(=O)c2cccc(O)c2C1=O |
|
AD44488 | 3.47 | 408.54 | C23H36O6 | C=C1C(O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCOC(=O)CC(=O)O |
|
AD44489 | 3.45 | 322.49 | C20H34O3 | C=C1C(O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCO |
|
AD44490 | 2.17 | 246.22 | C13H10O5 | O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1 |