aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00801 | 0.61 | 260.29 | C12H20O6 | CCOC(=O)C1C(C)OC(O)CC1(C)OC(C)=O |
|
AD00802 | 1.87 | 247.24 | C9H8N3F3S | NC(=S)NN=Cc1ccc(C(F)(F)F)cc1 |
|
AD00803 | 4.61 | 432.47 | C26H24O6 | COC(=O)c1ccc2ccc(OCC(O)COc3ccc4ccc(OC)cc4c3)cc2c1 |
|
AD00804 | -0.14 | 112.13 | C5H8ON2 | O=C1NCC=CCN1 |
|
AD00805 | 1.69 | 258.33 | C12H12N5S | C1=Nc2c(ncnc2NC2CC3CC2C2SC32)[N]1 |
|
AD00806 | 0.54 | 123.16 | C6H9N3 | CN(C)c1ncccn1 |
|
AD00807 | 2.58 | 270.24 | C15H10O5 | O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12 |
|
AD00808 | 2.72 | 292.33 | C16H20O5 | CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 |
|
AD00809 | 2.23 | 286.33 | C16H18O3N2 | CC(NCCC(=O)O)C(=O)Nc1ccc2ccccc2c1 |
|
AD00810 | 5.02 | 273.55 | C15H7OCl3 | Oc1ccc(-c2ccc(Cl)cc2Cl)cc1Cl |