aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13181 | -0.19 | 262.01 | C6H3O2N2I | O=c1[nH]cc(C#CI)c(=O)[nH]1 |
|
AD13182 | 1.49 | 196.2 | C10H12O4 | COC(=O)c1ccc(OC)c(OC)c1 |
|
AD13183 | 3.11 | 374.35 | C22H14O6 | Cc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)C=CC3=O)=CC2=O |
|
AD13184 | 7.31 | 720.99 | C44H64O8 | CC=C(C)C(=O)OC1C(OC(=O)CCc2ccccc2)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C |
|
AD13185 | 3.44 | 237.35 | C17H19N | CN(C)c1ccccc1Cc1ccc2c(c1)CC2 |
|
AD13186 | 0.35 | 204.21 | C9H10ON5 | OCC=CCNc1ncnc2c1N=C[N]2 |
|
AD13187 | 2.11 | 362.81 | C19H19O4N2Cl | CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(N)=O)C1=O |
|
AD13188 | 2.08 | 335.36 | C16H21O5N3 | COCc1cn(CCCCCOc2ccc(O)c(C(=O)O)c2)nn1 |
|
AD13189 | 5.77 | 400.56 | C25H36O4 | CC=C(C)C(O)C(C)C=C(C)C=CCC(C)C=Cc1oc(OC)c(C)c(=O)c1C |
|
AD13190 | 0.66 | 755.06 | C30H54O8N6S4 | O=C(CCS)NCCCCC(NC(=O)C(CCCCNC(=O)CCS)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)C(=O)O |