aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40781 | -0.84 | 282.19 | C6H22O7NP2 | CO[PH](O)(O)O[PH](O)(O)OCC[N+](C)(C)C |
|
AD40782 | -0.13 | 280.17 | C6H20O7NP2 | COP(=O)(OCC[N+](C)(C)C)O[PH](O)(O)O |
|
AD40783 | 0.68 | 358.25 | C13H8O6N7 | O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc2c(c(=O)[nH]1)N=C[N]2 |
|
AD40784 | 1.49 | 210.23 | C10H14O3N2 | COc1ccc(CC(C)N)c([N+](=O)[O-])c1 |
|
AD40785 | -0.31 | 209.23 | C9H13O2N4 | C[NH+](C)C=Cc1cc(N)ncc1[N+](=O)[O-] |
|
AD40786 | 0.75 | 211.18 | C8H9O4N3 | CCOC(=O)c1cc([N+](=O)[O-])cnc1N |
|
AD40787 | 1.4 | 245.62 | C9H8O4N3Cl | CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N |
|
AD40788 | 0.75 | 211.18 | C8H9O4N3 | CCOC(=O)c1ccnc(N)c1[N+](=O)[O-] |
|
AD40789 | -0.47 | 162.21 | C7H16O3N | C[N+](C)(C)CC(O)CC(=O)O |
|
AD40790 | 1.38 | 308.38 | C13H12O3N2S2 | COc1ccc(C=C2SC(=S)N(CC(N)=O)C2=O)cc1 |