aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08421 | 4.09 | 302.8 | C19H19O2Cl | CC(C)(O)c1ccc(Cc2ccc3c(c2Cl)OCC3)cc1 |
|
AD08422 | 3.71 | 312.8 | C20H17O2Cl | C#CC(C)(O)c1ccc(Cc2ccc3c(c2Cl)OCC3)cc1 |
|
AD08423 | 4.05 | 795.46 | C42H67O9N4Cl | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCNc3ccnc4ccc(Cl)cc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD08424 | 0.85 | 567.6 | C27H33O7N7 | CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O |
|
AD08425 | 1.73 | 254.32 | C13H10N4S | N#CC1=C(N)NC(S)=C(C#N)C1c1ccccc1 |
|
AD08426 | -0.81 | 114.06 | H3O3PS | OP(O)(O)=S |
|
AD08427 | 0.47 | 165.19 | C9H11O2N | O=CNC(CO)c1ccccc1 |
|
AD08428 | -0.64 | 221.2 | C8H9O2N6 | Nc1ncnc2c1N=C(NCCC(=O)O)[N]2 |
|
AD08429 | 2.07 | 704.91 | C36H60O8N6 | COC1(C)CC(C)C(O)C(C)CN(C)CC(Cn2cc(-c3ccccn3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |
|
AD08430 | 2.67 | 703.92 | C37H61O8N5 | COC1(C)CC(C)C(O)C(C)CN(C)CC(Cn2cc(-c3ccccc3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |