aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38871 | -0.01 | 286.33 | C11H16O4N3S | [NH3+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 |
|
AD38872 | 1.04 | 277.28 | C14H15O5N | O=c1ccc2cc(O)c(O)c(CN3CCOCC3)c2o1 |
|
AD38873 | 1.24 | 273.29 | C14H15O3N3 | CC(C)c1ccc(N2C(=O)NC(=O)C(=CN)C2=O)cc1 |
|
AD38874 | -0.25 | 250.37 | C14H24ON3 | COc1ccc(N2CC[NH+](CCCN)CC2)cc1 |
|
AD38875 | 0.26 | 203.2 | C10H9O2N3 | NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1 |
|
AD38876 | 2.07 | 269.35 | C16H19ON3 | c1cncc(COc2ccc(N3CCNCC3)cc2)c1 |
|
AD38877 | 0.24 | 293.27 | C13H9ON8 | Nc1ncnc2c1N=C(NN=C1C(=O)Nc3ccccc31)[N]2 |
|
AD38878 | -0.38 | 300.26 | C12H10O3N7 | Nc1nc2c(c(=O)[nH]1)N=C(NN=Cc1ccc(O)cc1O)[N]2 |
|
AD38879 | -0.07 | 314.29 | C13H12O3N7 | COc1cccc(C=NNC2=Nc3c(nc(N)[nH]c3=O)[N]2)c1O |
|
AD38880 | 1.93 | 277.39 | C6H15O5NS3 | CS(=O)CCCCC(S)=NOS(O)(O)O |