aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04531 | 5.18 | 488.71 | C30H48O5 | CC1(C(=O)O)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD04532 | 5.79 | 484.1 | C20H8O3N2Br2 | O=C1OC(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1[nH]c3ccc(Br)cc3c21 |
|
AD04533 | -0.16 | 414.31 | C15H19O8N4P | COP(=O)(O)OC1c2c(COC(N)=O)c3c(n2CC1N)C(=O)C(C)=C(N)C3=O |
|
AD04534 | 5.08 | 729.02 | C41H68O7N4 | CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)C(C)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(N)=O)CCC4(C)C3CCC12C |
|
AD04535 | 1.56 | 164.16 | C8H8O2N2 | O=[N+]([O-])c1ccc2c(c1)CCN2 |
|
AD04536 | 0.19 | 264.32 | C14H20O3N2 | CC(=O)N(CCc1ccccc1)CC(=O)NCCO |
|
AD04537 | 2.34 | 272.43 | C15H32O2N2 | CCCCCCCCCCCCNC(=O)C(N)CO |
|
AD04538 | 5.74 | 470.69 | C30H46O4 | CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1 |
|
AD04539 | 5.35 | 345.85 | C19H16O2NClS | C=CCOCc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1 |
|
AD04540 | 0.86 | 416.38 | C21H20O9 | COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)c(OC)c2)C(=O)O1 |