aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03131 | -0.56 | 368.34 | C17H20O9 | COC(=O)C1(O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1 |
|
AD03132 | -0.65 | 354.31 | C16H18O9 | O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O |
|
AD03133 | 1.97 | 140.16 | C8H9OF | COCc1ccc(F)cc1 |
|
AD03134 | 1.32 | 126.13 | C7H7OF | OCc1ccc(F)cc1 |
|
AD03135 | 2.34 | 244.32 | C13H12ON2S | C=CCN1C(=O)C(=Cc2ccccc2)N=C1S |
|
AD03136 | 1.91 | 243.29 | C12H9ON3S | Cc1ccc(-c2nc(S)[nH]c(=O)c2C#N)cc1 |
|
AD03137 | 7.32 | 470.74 | C31H50O3 | COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2 |
|
AD03138 | 5.75 | 579.49 | C29H22O2N7Cl2S | Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2 |
|
AD03139 | 2.38 | 577.72 | C30H47O8N3 | CCC(=O)OC1CC(=O)OC(CC=Cc2ccc(N)nc2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC |
|
AD03140 | 0.27 | 89.09 | C3H7O2N | CCNC(=O)O |