aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12181 | 2.06 | 405.41 | C22H19O5N3 | CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NOC |
|
AD12182 | 0.09 | 132.19 | C2H2N3S2 | SC1=NN=C(S)[N]1 |
|
AD12183 | 2.99 | 255.33 | C13H11N4S | Cc1cccc(CSc2ncnc3c2N=C[N]3)c1 |
|
AD12184 | -1.38 | 178.13 | C6H4O2N5 | Nc1nc(=O)c2c(c(=O)[nH]1)N=C[N]2 |
|
AD12185 | 4.44 | 500.68 | C30H44O6 | CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)CCC12C |
|
AD12186 | 1.95 | 288.35 | C16H20O3N2 | CCN1CCN(c2cc(=O)oc3c(C)c(O)ccc23)CC1 |
|
AD12187 | 12.3 | 975.27 | C56H54O6N4S3 | SCCOCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(OCCOCCS)cc4)c4ccc([nH]4)c(-c4ccc(OCCOCCS)cc4)c4nc2C=C4)C=C3)cc1 |
|
AD12188 | 3.99 | 241.32 | C14H11ONS | c1ccc(Cc2ncc(-c3ccco3)s2)cc1 |
|
AD12189 | 4.02 | 335.81 | C17H14O3NClS | OCCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1 |
|
AD12190 | 2.27 | 601.78 | C31H55O10N | CCC(OC(C)=O)C(C)(O)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O2)C1C |