Molecule ID: mol18092
SMILES: Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc12
InChI: InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.82 | OCHEM | 0 » -1 |
| 2.82 | OCHEM | 0 » -1 |
| 2.82 | OCHEM | 0 » -1 |
| 2.82 | Baltruschat ChEMBL | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |