aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04761 | 3.99 | 480.73 | C29H52O5 | CC(C)C(CCO)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12C |
|
AD04762 | 2.45 | 308.31 | C14H12O6S | O=S(=O)(O)Oc1cc(O)cc(C=Cc2ccc(O)cc2)c1 |
|
AD04763 | 1.27 | 218.28 | C11H16N5 | CCN(CC)CCc1ncnc2c1N=C[N]2 |
|
AD04764 | 1.84 | 362.38 | C19H22O7 | CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)cc1 |
|
AD04765 | 2.89 | 304.38 | C17H12N4S | N#CC1=C(N)NC(S)=C(C#N)C1c1ccc2ccccc2c1 |
|
AD04766 | 4.15 | 504.71 | C30H48O6 | CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD04767 | 4.81 | 344.41 | C23H20O3 | OC(COc1ccc2ccccc2c1)COc1ccc2ccccc2c1 |
|
AD04768 | 0.45 | 152.13 | C6H5N4F | Nc1ncnn2ccc(F)c12 |
|
AD04769 | 4.11 | 473.64 | C25H35O4N3S | CCCCC1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(N)=O)c2)C1O |
|
AD04770 | 5.18 | 911.58 | C49H71O9N6Cl | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(Cc2ccc(-c3cn(CCc4c[nH]c5ccc(Cl)cc45)nn3)cc2)C(C)C(O)C1(C)O |