Molecule ID: mol18883
SMILES: COc1cc(/C=C/C(O)=C/C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C19H24O9/c1-10(21)7-12(22)5-3-11-4-6-13(14(8-11)26-2)27-19-18(25)17(24)16(23)15(9-20)28-19/h3-8,15-20,22-25H,9H2,1-2H3/b5-3+,12-7-/t15-,16-,17+,18-,19-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.73 | Baltruschat ChEMBL | 0 » -1 |
| 8.75 | Baltruschat ChEMBL | 0 » -1 |