aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04931 | 3.12 | 394.15 | C13H9O2N5I | O=[N+]([O-])c1cc(NCc2cccc(I)c2)c2c(n1)[N]C=N2 |
|
AD04932 | 0.85 | 326.37 | C14H18O5N2S | C=C(CCC(=O)NS(=O)(=O)NC)c1ccccc1C(=O)OC |
|
AD04933 | 2.6 | 484.46 | C28H20O8 | COc1cc(C)c2cccc(C(=O)OC3C=C4C#CC5(C6COC(=O)O6)OC5C#CC=C4C3O)c2c1 |
|
AD04934 | -0.52 | 112.09 | C4H4O2N2 | O=c1cc(O)cn[nH]1 |
|
AD04935 | -0.22 | 256.29 | C9H12O3N4S | N=C(NC(CCC(N)=O)C(=O)O)c1cscn1 |
|
AD04936 | -0.11 | 278.32 | C12H18O2N6 | Nc1nc(O)c2c(n1)[nH]c(=O)n2CCN1CCCCC1 |
|
AD04937 | 2.26 | 302.3 | C12H8O3N5S | O=[N+]([O-])c1ccc(CSC2=Nc3c(O)ncnc3[N]2)cc1 |
|
AD04938 | 0.75 | 257.28 | C12H13ON6 | CCCC(=O)NC1=NN(C)c2ncnc3c2C1=C[N]3 |
|
AD04939 | 1.77 | 260.2 | C13H8O6 | O=c1c2c(O)cc(O)cc2oc2ccc(O)c(O)c12 |
|
AD04940 | 4.54 | 325.37 | C21H15ON3 | CN1Cc2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O |