aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03791 | -0.11 | 622.49 | C15H10O19S4 | O=c1c(O)c(-c2ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c2)oc2cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c12 |
|
AD03792 | -0.93 | 126.11 | C5H6O2N2 | Cn1c(=O)cc[nH]c1=O |
|
AD03793 | 0.66 | 257.23 | C7H7O4N5S | NC(=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
|
AD03794 | 0.44 | 99.13 | C5H9ON | C=CCCC(N)=O |
|
AD03795 | 1.86 | 222.3 | C9H12N5S | CCCCSc1nc(N)c2c(n1)[N]C=N2 |
|
AD03796 | 4.32 | 386.86 | C19H15O2N4ClS | Clc1cc(OCCn2cncn2)ccc1Cc1ncc(-c2ccco2)s1 |
|
AD03797 | -0.37 | 414.37 | C21H18O9 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)C(O)C3 |
|
AD03798 | -0.71 | 228.23 | C12H10O2N3 | C[n+]1ccccc1C#Cc1c[nH]c(=O)[nH]c1=O |
|
AD03799 | 0.82 | 230.27 | C6H6O2N4S2 | NC(=S)NN=Cc1ccc([N+](=O)[O-])s1 |
|
AD03800 | 1.6 | 148.16 | C9H8O2 | O=CC=Cc1ccc(O)cc1 |