Molecule ID: mol18884
SMILES: CC(=O)/C=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
InChI: InChI=1S/C18H22O9/c1-9(20)6-11(21)4-2-10-3-5-13(12(22)7-10)26-18-17(25)16(24)15(23)14(8-19)27-18/h2-7,14-19,21-25H,8H2,1H3/b4-2+,11-6-/t14-,15-,16+,17-,18-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.03 | Baltruschat ChEMBL | 0 » -1 |
| 8.03 | Baltruschat ChEMBL | 0 » -1 |