aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05471 | -0.79 | 191.17 | C7H7ON6 | NC(=O)CC1=Nc2c(N)ncnc2[N]1 |
|
AD05472 | 4.6 | 428.61 | C27H40O4 | C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C |
|
AD05473 | 0.48 | 132.16 | C6H12O3 | CCC(C)C(O)C(=O)O |
|
AD05474 | -1.2 | 376.52 | C16H32O4N4S | CCNC1CC(N)C(OC2OC(CN)=C(SCC)CC2N)C(O)C1O |
|
AD05475 | 6.74 | 705.98 | C42H63O6N3 | CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCc2ccc3ncccc3c2)C=CC(C)=CC1CO |
|
AD05476 | -0.24 | 97.12 | C5H7ON | C#CCC(=O)NC |
|
AD05477 | 1.39 | 181.26 | C8H11N3S | CNc1nc(C2C=CCN2)cs1 |
|
AD05478 | -1.3 | 192.09 | C4H7O4N3P | Cn1cc(OCP(=O)([O-])O)nn1 |
|
AD05479 | 2.33 | 728.1 | C36H34O14NCl | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c(Cl)c2)C(O)C(C)O1 |
|
AD05480 | 2.22 | 443.54 | C24H33O5N3 | CCOC(=O)c1cn(CC)c2ccc(CCCN3CCN(CCC(=O)O)CC3)cc2c1=O |