aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08121 | -0.28 | 90.08 | C3H6O3 | COCC(=O)O |
|
AD08122 | 5.86 | 469.73 | C26H47O4NS | CCCCCCCCCCCCCCC(O)C(O)C(CC)NS(=O)(=O)c1ccc(C)cc1 |
|
AD08123 | -1.65 | 122.12 | C2H4O3NS | NC(=O)C[S](=O)=O |
|
AD08124 | -0.63 | 259.35 | C11H25O2N5 | CN(CCCCCNC(=N)N)CCC(N)C(=O)O |
|
AD08125 | 2.44 | 237.24 | C13H9ON4 | OC(=Cc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD08126 | 10.5 | 590.93 | C37H66O5 | CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC |
|
AD08127 | 5.1 | 321.23 | C17H10N2Cl2S | Clc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cc1 |
|
AD08128 | 5.66 | 342.88 | C18H11N2ClS2 | Clc1ccccc1Cc1nnc(-c2cc3ccccc3s2)s1 |
|
AD08129 | 0.42 | 82.11 | C4H6N2 | Cn1cccn1 |
|
AD08130 | 1.55 | 447.24 | C20H15O7Br | O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CC(O)(C(=O)CBr)CC3O |