aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42171 | -1.66 | 128.22 | C7H16N2 | [NH3+]C1CCC2(C[NH2+]C2)C1 |
|
AD42172 | -1.8 | 128.22 | C7H16N2 | [NH3+]C1CC2C[NH2+]CC2C1 |
|
AD42173 | 1.73 | 290.23 | C14H10O7 | COc1c(O)cc(=O)c2c(O)c3c(O)ccc(O)c3oc1-2 |
|
AD42174 | -0.13 | 280.17 | C6H20O7NP2 | COP(=O)(O)O[PH](O)(O)OCC[N+](C)(C)C |
|
AD42175 | 1.56 | 329.28 | C11H5O3N8S | Nc1nc2c(c(Sc3ccc([N+](=O)[O-])c4nonc34)n1)N=C[N]2 |
|
AD42176 | 0.03 | 131.13 | C5H9O3N | O=[N+]([O-])CC(O)C1CC1 |
|
AD42177 | 2.05 | 239.23 | C14H9O3N | NC(=O)c1ccc2oc3ccccc3c(=O)c2c1 |
|
AD42178 | 1.88 | 223.23 | C13H9ON3 | NC(=O)c1cccc2nc3ccccc3nc12 |
|
AD42179 | 1.88 | 223.24 | C13H9ON3 | NC(=O)c1ccnc2c1ccc1cccnc12 |
|
AD42180 | 1.77 | 224.61 | C9H5O2N4Cl | Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] |