aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08581 | 5.08 | 300.81 | C18H13OClS | Clc1c(Cc2cc3ccccc3s2)ccc2c1OCC2 |
|
AD08582 | 4.53 | 298.75 | C18H12N2FCl | Fc1ccc(-c2cnc(Cc3ccccc3Cl)nc2)cc1 |
|
AD08583 | 4.94 | 493.69 | C27H41O6S | CC(=CC(=O)CC(C)C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C |
|
AD08584 | -0.97 | 117.1 | C4H7O3N | CCOC(=O)C(N)=O |
|
AD08585 | 1.77 | 240.29 | C12H8N4S | Nc1ncnn2ccc(C#Cc3cccs3)c12 |
|
AD08586 | 4.04 | 530.7 | C31H46O7 | CCC1OC(=O)CC(O)C(C)C(O)C(CCOCCc2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD08587 | -1.63 | 126.12 | C4H6ON4 | N=c1cc[nH]c(=O)n1N |
|
AD08588 | 3.99 | 545.76 | C32H51O6N | CNC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2 |
|
AD08589 | 1.22 | 249.26 | C13H9N6 | CNc1nc(C#Cc2ccccn2)nc2c1N=C[N]2 |
|
AD08590 | 1.09 | 154.19 | C6H6ON2S | C=NNC(=O)c1cccs1 |