aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40221 | -0.35 | 303.41 | C15H25N7 | CC(C)C(CNc1ncnc2c1N=C[N]2)[NH+]1CCN(C)CC1 |
|
AD40222 | -0.92 | 264.33 | C12H20ON6 | CC[NH+](CC)CC(O)CNc1ncnc2c1N=C[N]2 |
|
AD40223 | -0.48 | 264.33 | C12H20ON6 | CC(C)(C)[NH2+]CC(O)CNc1ncnc2c1N=C[N]2 |
|
AD40224 | 0.06 | 296.39 | C16H26O4N | CC(C)(C)c1ccc(C(=O)OCC(O)C[NH2+]CCO)cc1 |
|
AD40225 | 0.37 | 161.17 | C7H7N5 | Nc1cc[nH+]cc1C1=C[N]N=N1 |
|
AD40226 | -0.3 | 299.42 | C14H23O3N2S | Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCO)CC2)cc1 |
|
AD40227 | 0.04 | 289.42 | C13H25O3N2S | CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCO)CS2)C1 |
|
AD40228 | 1.18 | 271.38 | C14H27O3N2 | CC(C)(C)OC(=O)N1CCOC2(CCC([NH3+])CC2)C1 |
|
AD40229 | -0.29 | 287.38 | C14H27O4N2 | CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCO)CCO2)C1 |
|
AD40230 | -0.29 | 287.38 | C14H27O4N2 | CC(C)(C)OC(=O)N1C2COCC1CC([NH2+]CCO)C2 |