aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06871 | 2.27 | 190.27 | C10H10N2S | NCc1ccc(-c2nccs2)cc1 |
|
AD06872 | 0.75 | 219.27 | C10H15N6 | CN(C)CCCNc1ncnc2c1N=C[N]2 |
|
AD06873 | 4.61 | 321.85 | C16H12ONClS2 | OCc1ccc(Cc2ncc(-c3ccsc3)s2)c(Cl)c1 |
|
AD06874 | 5.68 | 474.73 | C30H50O4 | CC(C(O)CC(=O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C |
|
AD06875 | 2.97 | 411.54 | C21H31O6S | CC(=O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C |
|
AD06876 | 8.42 | 575.92 | C36H65O4N | CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCc1ccccc1 |
|
AD06877 | 9.05 | 767.71 | C40H42O3N5I | CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)C(CCC(N)=O)C4C)c(C)c3C(C)OCc1cccc(I)c1 |
|
AD06878 | 4.18 | 339.35 | C21H13O2N3 | CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O |
|
AD06879 | 1.0 | 218.24 | C10H12ON5 | CC1CC1COc1nc(N)c2c(n1)[N]C=N2 |
|
AD06880 | 5.31 | 524.64 | C29H32O7S | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 |