aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05141 | 2.75 | 282.33 | C14H10ON4S | COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1 |
|
AD05142 | -0.31 | 100.12 | C4H8ON2 | O=C1NCCCN1 |
|
AD05143 | 2.42 | 278.22 | C12H7N5F3 | Fc1ccc(CNc2ncnc3c2N=C[N]3)c(F)c1F |
|
AD05144 | 9.01 | 1055.49 | C57H106O13N4 | CCCCCCCCCCCCCCCCOC(=O)CCC(NCCOCCOCCNC(=O)C(NC(=O)C1CC(O)CN1C(=O)CCCC(=O)O)C(C)O)C(=O)OCCCCCCCCCCCCCCCC |
|
AD05145 | 2.56 | 356.37 | C20H20O6 | COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1 |
|
AD05146 | 1.51 | 192.17 | C10H8O4 | Cc1cc(=O)c2c(O)cc(O)cc2o1 |
|
AD05147 | 1.9 | 364.83 | C19H21O4N2Cl | CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(N)O)C1=O |
|
AD05148 | 0.91 | 285.37 | C12H19O3N3S | CSC(C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)C |
|
AD05149 | -0.14 | 212.2 | C10H12O5 | O=C(O)C1=COC(O)C2C(CO)=CCC12 |
|
AD05150 | 2.2 | 351.36 | C19H17O4N3 | COc1ccc2c(c1)C(=C1Nc3ccccc3C1=NOCCO)C(=O)N2 |