aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19311 | 2.82 | 186.02 | C9H3N2Cl2 | ClC1=Nc2ccc(Cl)cc2[N]1 |
|
AD19312 | -1.1 | 112.09 | C3H4ON4 | NC(=O)c1cn[nH]n1 |
|
AD19313 | 2.24 | 289.32 | C16H13N6 | Nc1ncnc2c1N=C(NCc1ccc3ccccc3c1)[N]2 |
|
AD19314 | 1.53 | 285.33 | C14H17ON6 | CCCCCC(=O)NC1=NN(C)c2ncnc3c2C1=C[N]3 |
|
AD19315 | 1.99 | 239.23 | C13H9O2N3 | NC(=O)c1nc(-c2cccc3ccccc23)no1 |
|
AD19316 | 0.34 | 153.16 | C6H9ON4 | CCCNC(=O)C1=C[N]N=N1 |
|
AD19317 | -0.14 | 268.32 | C12H20O3N4 | CCCNC(=O)c1cn(C2CCCC(O)C2O)nn1 |
|
AD19318 | 1.65 | 240.65 | C11H9O3N2Cl | O=C(O)NNC(=O)C=Cc1ccc(Cl)cc1 |
|
AD19319 | 3.86 | 530.49 | C29H22O10 | O=C1c2c(cc(O)c3c2OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)OC(c2ccc(O)c(O)c2)C1O |
|
AD19320 | 4.03 | 996.28 | C53H87O12N3F2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)C2C(C)CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC32C)C(C)C(O)C1(C)O |