aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33701 | -1.14 | 245.37 | C11H21O2N2S | CCSCC[NH+]1CC2CN(C=O)CC(C1)O2 |
|
AD33702 | -0.52 | 229.37 | C11H21ON2S | CCSCC[NH+]1CCC2CN(C=O)CC21 |
|
AD33703 | -0.37 | 229.37 | C11H21ON2S | CCSCC[NH+]1CCC2C1CCN2C=O |
|
AD33704 | -0.12 | 243.4 | C12H23ON2S | CCSCC[NH+]1CCCC2(CN(C=O)C2)C1 |
|
AD33705 | -1.14 | 245.37 | C11H21O2N2S | CCSCC[NH+]1CC2COCC(C1)N2C=O |
|
AD33706 | -2.26 | 229.3 | C11H21O3N2 | CC(CO)C[NH+]1CC2CN(C=O)CC(C1)O2 |
|
AD33707 | -1.14 | 231.29 | C11H20O2N2F | O=CN1CC2C[NH+](CCCCF)CC(C1)O2 |
|
AD33708 | 0.06 | 229.32 | C12H22ON2F | O=CNC1CC2CCC(C1)[NH+]2CCCCF |
|
AD33709 | -0.13 | 229.32 | C12H22ON2F | O=CN1CC2(CCC[NH+](CCCCF)C2)C1 |
|
AD33710 | -0.18 | 219.31 | C13H19ON2 | CC1C[NH+](Cc2ccccc2)CC1C(N)=O |