aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35081 | -0.96 | 254.31 | C13H20O4N | CC(O)(C[NH2+]CCO)C(=O)OCc1ccccc1 |
|
AD35082 | -0.5 | 246.32 | C12H18N6 | C[NH+](C)C1CCCN(c2ncnc3c2N=C[N]3)C1 |
|
AD35083 | -0.5 | 246.32 | C12H18N6 | C[NH+](C)CC1CCCN1c1ncnc2c1N=C[N]2 |
|
AD35084 | -1.01 | 242.29 | C12H20O4N | COc1cccc(OCC(O)C[NH2+]CCO)c1 |
|
AD35085 | -1.43 | 231.32 | C11H23O3N2 | CCOC(=O)CN1CCC([NH2+]CCO)CC1 |
|
AD35086 | -2.33 | 228.32 | C11H22O2N3 | C[NH+](C)CCN1CC2CN(C=O)CC(C1)O2 |
|
AD35087 | -2.33 | 228.32 | C11H22O2N3 | C[NH+](C)CCN1CCOC2CN(C=O)CC21 |
|
AD35088 | -2.33 | 228.32 | C11H22O2N3 | C[NH+](C)CCN1CC2COCC(C1)N2C=O |
|
AD35089 | -2.2 | 200.31 | C10H22ON3 | C[NH+](C)CCN1CCOC2CNCC21 |
|
AD35090 | -2.2 | 200.31 | C10H22ON3 | C[NH+](C)CCN1CC2COCC(C1)N2 |