aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40831 | 2.48 | 326.3 | C18H14O6 | O=C1OC(c2ccc(O)cc2)C(C(=O)O)C1=Cc1ccc(O)cc1 |
|
AD40832 | 2.04 | 330.34 | C18H18O6 | CC1=C(C(=O)O)C(=CCO)C(OC(=O)C=Cc2ccc(O)cc2)C1 |
|
AD40833 | 2.89 | 352.42 | C13H14O3N5S2 | Nc1nc(SCCc2ccc(S(O)(O)O)cc2)nc2c1N=C[N]2 |
|
AD40834 | 1.71 | 314.34 | C17H18O4N2 | NC(=O)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 |
|
AD40835 | 1.24 | 288.3 | C16H16O5 | O=C(OCC1=CC(O)C2C=COC(O)C12)c1ccccc1 |
|
AD40836 | 1.46 | 363.15 | C13H9O3N5Br | O=C(COc1ccc(Br)cc1)Nc1nc2c(c(=O)[nH]1)N=C[N]2 |
|
AD40837 | -0.49 | 144.1 | C5H5O2N2F | Cc1c(F)[nH]c(=O)[nH]c1=O |
|
AD40838 | -0.44 | 146.21 | C5H10ON2S | NC(=S)N1CCOCC1 |
|
AD40839 | -0.28 | 132.12 | C5H8O4 | COC(=O)COC(C)=O |
|
AD40840 | 2.17 | 290.36 | C16H22O3N2 | CCN(CC)C(=O)C1(c2ccccc2)CC1N(C)C(=O)O |