aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22051 | 1.96 | 204.25 | C10H8ON2S | Nc1ncc(C(=O)c2ccccc2)s1 |
|
AD22052 | 3.67 | 276.72 | C16H13O3Cl | COc1ccc(Cc2ccc3c(c2Cl)OCO3)cc1 |
|
AD22053 | 1.74 | 146.15 | C8H6ON2 | c1ccc(-c2ncon2)cc1 |
|
AD22054 | -1.28 | 198.18 | C7H10O3N4 | COC(=O)CNC(=O)c1cn(C)nn1 |
|
AD22055 | 3.63 | 380.35 | C21H16O7 | COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)COC3=O |
|
AD22056 | 4.3 | 287.79 | C18H18ONCl | CCc1ccc(Cc2ccc3c(c2Cl)NCCO3)cc1 |
|
AD22057 | 0.55 | 467.48 | C24H25O7N3 | O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(OCc2ccccc2)cc1 |
|
AD22058 | 3.17 | 355.44 | C20H25O3N3 | COCc1cn(CCCCCCOC2=CC(=O)Cc3ccccc32)nn1 |
|
AD22059 | 2.51 | 341.41 | C19H23O3N3 | O=C1C=C(OCCCCCCn2cc(CO)nn2)c2ccccc2C1 |
|
AD22060 | 2.81 | 318.46 | C20H30O3 | C=C1C2CCC3CC2(C=C3C)CC(O)C2(O)C1CC(O)C2(C)C |