aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12451 | 1.79 | 330.22 | C14H20O3NBr | CC1OC(O)CC(C)(NCc2ccc(Br)cc2)C1O |
|
AD12452 | 1.95 | 547.73 | C27H47O9S | CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)[O-])CC12O |
|
AD12453 | 0.38 | 120.22 | C3H6NS2 | CN(C)C(=S)[S-] |
|
AD12454 | 3.48 | 330.8 | C16H11ON4ClS | Oc1ccccc1-c1nnc(S)n1N=Cc1ccccc1Cl |
|
AD12455 | -14.36 | 1270.11 | C49H75O37N | O=C(COc1ccc(O)cc1)NC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O |
|
AD12456 | 0.57 | 209.2 | C10H11O4N | COc1cc(C(N)=O)cc2c1OCCO2 |
|
AD12457 | 0.31 | 179.17 | C9H9O3N | NC(=O)C1COc2ccccc2O1 |
|
AD12458 | 1.96 | 225.23 | C12H9ON4 | C1=Nc2c(COc3ccccc3)ncnc2[N]1 |
|
AD12459 | 2.07 | 286.71 | C13H9N7Cl | Nc1nc(NN=Cc2cccc(Cl)c2)nc2c1N=C[N]2 |
|
AD12460 | 3.65 | 658.82 | C33H46O8N4S | CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(=O)NCC=Cc2cnc(C3CC3)nc2)CC(C)C(=O)C(C)C2NC(=S)OC12C |