aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD30171 | -0.5 | 186.27 | C10H20O2N | OCC[NH2+]C1CCC2(CC1)COC2 |
|
AD30172 | -0.73 | 202.27 | C10H20O3N | COC(=O)C1CCC([NH2+]CCO)CC1 |
|
AD30173 | -0.34 | 204.29 | C10H22O3N | CCOC(=O)CCCC(C)[NH2+]CCO |
|
AD30174 | 1.26 | 180.27 | C11H18ON | COc1ccc(CCC(C)[NH3+])cc1 |
|
AD30175 | -0.73 | 190.26 | C9H20O3N | CCOC(=O)CCC(C)[NH2+]CCO |
|
AD30176 | -0.43 | 181.26 | C10H17ON2 | CC(Cc1cccnc1)[NH2+]CCO |
|
AD30177 | 0.9 | 177.27 | C11H17N2 | [NH3+]C1CCN(c2ccccc2)CC1 |
|
AD30178 | 1.51 | 170.66 | C10H13NCl | CC([NH3+])Cc1cccc(Cl)c1 |
|
AD30179 | -2.0 | 188.31 | C10H24ON2 | C[NH+](C)C1CCC([NH2+]CCO)CC1 |
|
AD30180 | -0.54 | 172.32 | C10H24N2 | CC[NH+](CC)C1CCC([NH3+])CC1 |