aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD30321 | 1.46 | 192.17 | C10H8O4 | Cc1cc(O)c2c(=O)cc(O)cc-2o1 |
|
AD30322 | -0.46 | 232.27 | C10H14N7 | CN1CCN(C2=Nc3c(N)ncnc3[N]2)CC1 |
|
AD30323 | -2.16 | 234.26 | C10H14ON6 | C[NH+]1CCN(C2=Nc3c(nc[nH]c3=O)[N]2)CC1 |
|
AD30324 | 0.49 | 219.26 | C12H15O2N2 | COC(=O)C([NH3+])Cc1c[nH]c2ccccc12 |
|
AD30325 | 1.42 | 196.2 | C10H12O4 | COc1ccc(CCC(=O)O)c(O)c1 |
|
AD30326 | -0.66 | 220.21 | C9H10O2N5 | O=c1[nH]cnc2c1N=C(N1CCOCC1)[N]2 |
|
AD30327 | 0.48 | 196.2 | C10H12O4 | OCC(CO)c1ccc2c(c1)OCO2 |
|
AD30328 | -0.96 | 136.2 | C4H10O2NS | CSCC([NH3+])C(=O)O |
|
AD30329 | 1.1 | 242.32 | C15H18ON2 | CC12CN3CN(C1)CC(c1ccccc1)(C3)C2=O |
|
AD30330 | 0.74 | 218.24 | C10H12ON5 | CC(=CCNc1ncnc2c1N=C[N]2)CO |