aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01761 | 2.3 | 176.21 | C11H12O2 | COc1cccc(C=CC(C)=O)c1 |
|
AD01762 | 2.82 | 368.43 | C21H24O4N2 | C=CC1C(C(=CO)C(=O)OC)CC2c3[nH]c4ccccc4c3CCN2C1O |
|
AD01763 | 2.29 | 217.19 | C10H10ONF3 | CN(C=O)Cc1ccc(C(F)(F)F)cc1 |
|
AD01764 | -1.51 | 548.55 | C26H32O11N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)Cc2ccc(-c3cccc(O)c3)cc2)O1 |
|
AD01765 | -2.49 | 470.48 | C21H30O10N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)CCc2ccccc2)O1 |
|
AD01766 | 0.8 | 232.06 | C7H8O2N2Br | CCOC(=O)C1=CC(CBr)=N[N]1 |
|
AD01767 | 0.65 | 161.16 | C8H7ON3 | N#Cc1ccc(C(N)=NO)cc1 |
|
AD01768 | 0.69 | 334.32 | C17H18O7 | OCC12OC1C(OC=Cc1ccc(O)c(O)c1)C1C=COC(O)C12 |
|
AD01769 | 5.17 | 433.25 | C22H14O5N2Cl2 | O=C1c2c(cc3c(N=Nc4ccc(Cl)c(Cl)c4)c(O)cc(O)c3c2O)CCC1O |
|
AD01770 | 0.94 | 86.13 | C5H10O | C=CCCCO |