aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04181 | 0.8 | 265.22 | C12H11O6N | CONC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O |
|
AD04182 | 5.47 | 484.63 | C28H34ON7 | CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc(C(C)(C)C)c1 |
|
AD04183 | 3.37 | 551.67 | C28H39O4N8 | CN(CCCN(C)C(=O)CCCCNc1ncnc2c1N=C[N]2)C(=O)CCCCNC(=O)OCc1ccccc1 |
|
AD04184 | 4.27 | 360.54 | C23H36O3 | CC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C |
|
AD04185 | 3.69 | 309.37 | C8H2N2ClBr2 | ClC1=Nc2cc(Br)c(Br)cc2[N]1 |
|
AD04186 | 2.78 | 244.66 | C12H7N5Cl | Clc1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD04187 | 5.35 | 436.33 | C24H17N6Cl2 | Clc1cccc(Cl)c1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21 |
|
AD04188 | -0.87 | 143.14 | C6H9O3N | O=C1CCC(=O)N1CCO |
|
AD04189 | 1.5 | 211.3 | C7H7N4S2 | CSc1nc2c(c(SC)n1)C=N[N]2 |
|
AD04190 | 2.12 | 190.2 | C11H10O3 | Cc1c(C)c2ccc(O)cc2oc1=O |