aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12601 | 5.74 | 488.75 | C31H52O4 | COC1C=C2C3CC(C)(C)CCC3(CO)CCC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12 |
|
AD12602 | 0.85 | 274.32 | C15H18O3N2 | NC1CCC(OC(=O)C=Cc2ccccc2)CNC1=O |
|
AD12603 | 2.02 | 149.24 | C10H15N | CNCc1ccc(C)c(C)c1 |
|
AD12604 | 4.0 | 254.31 | C14H10ON2S | c1ccc(Oc2ccc(-c3ncsn3)cc2)cc1 |
|
AD12605 | 1.12 | 350.18 | C13H12O2N5Br | Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccc(Br)cc1)=C[N]2 |
|
AD12606 | 0.35 | 271.28 | C13H13O2N5 | Nc1nc2c(c(=O)[nH]1)[N+](CCOc1ccccc1)=C[N]2 |
|
AD12607 | -0.03 | 196.2 | C10H12O4 | O=CC1=COC(O)C2C(CO)=CCC12 |
|
AD12608 | -1.41 | 358.39 | C16H26O7N2 | O=C(O)CCCC(=O)N1CC(O)C(O)C1C(=O)NC1CCCCC1O |
|
AD12609 | 3.95 | 443.88 | C24H22O6NCl | COC(=O)C(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 |
|
AD12610 | 5.63 | 486.69 | C30H46O5 | CC1(C(=O)O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1 |