aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04791 | -1.01 | 127.08 | C3H3O2N4 | NC1=C([N+](=O)[O-])C=N[N]1 |
|
AD04792 | -0.29 | 112.07 | C3H2O2N3 | O=[N+]([O-])C1=C[N]N=C1 |
|
AD04793 | 1.2 | 307.3 | C14H11ON8 | OCc1cnn(-c2nc3c(c(Nc4ccncc4)n2)N=C[N]3)c1 |
|
AD04794 | 2.49 | 366.41 | C18H20O2N7 | CCOC(=O)c1cnn(-c2nc3c(c(NC45CCC(CC4)C5)n2)N=C[N]3)c1 |
|
AD04795 | 3.85 | 465.04 | C5H10O10P4Cl2S2 | COP(=O)(S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(S)OC |
|
AD04796 | 3.19 | 328.32 | C18H16O6 | COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1 |
|
AD04797 | -0.93 | 177.15 | C6H5ON6 | N=C(N)C1=N[N]c2ncnc(O)c21 |
|
AD04798 | 1.26 | 355.38 | C16H19O2N8 | CCCNC(=O)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1 |
|
AD04799 | 2.55 | 359.31 | C15H22O7NP | CNC(=O)OC(c1ccc(OC)c(OC2CCCC2)c1)P(=O)(O)O |
|
AD04800 | 0.68 | 339.18 | C10H15O8NP2 | COP(=O)(O)OC(CNC(=O)c1ccccc1)P(=O)(O)O |