aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10201 | 0.97 | 108.14 | C6H8N2 | NNc1ccccc1 |
|
AD10202 | 2.61 | 178.23 | C11H14O2 | CC(C)=CCc1cc(O)ccc1O |
|
AD10203 | 4.87 | 316.49 | C13H3ONF3Cl3 | O=C(c1c(Cl)[nH]c2cc(Cl)c(Cl)cc12)C(F)(F)F |
|
AD10204 | 3.26 | 199.21 | C12H9O2N | O=[N+]([O-])c1cccc(-c2ccccc2)c1 |
|
AD10205 | -3.17 | 1181.48 | C54H104O18N10 | O=C(CCCCCNC(=O)CN(CCOCCOCCN(CC(=O)NCCCCCC(=O)NCCOCCO)CC(=O)NCCCCCC(=O)NCCOCCO)CC(=O)NCCCCCC(=O)NCCOCCO)NCCOCCO |
|
AD10206 | 0.97 | 773.03 | C38H72O10N6 | O=C(CC(NC(=O)CCCCCCCCCCCCCCCCC(=O)NC(CC(=O)NCCCO)C(=O)NCCCO)C(=O)NCCCO)NCCCO |
|
AD10207 | -0.14 | 212.2 | C10H12O5 | C=C1C(O)CC2C(C(=O)O)=COC(O)C12 |
|
AD10208 | 2.39 | 317.45 | C18H23O2NS | COC1C(S)C=CC2C3Cc4ccc(O)cc4C21CCN3C |
|
AD10209 | 8.73 | 683.81 | C44H37O3N5 | Nc1ccccc1C1c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc1[nH]2 |
|
AD10210 | 3.23 | 423.3 | C22H20O4N2Cl2 | CC(Cl)=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(N)=O)C1=O |