Molecule ID: mol37333
SMILES: O=C1OC(c2ccc(O)cc2)(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)c2ccccc21
InChI: InChI=1S/C26H22O10/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32/h1-12,19-22,25,27-30H,(H,31,32)/t19-,20-,21+,22-,25+,26?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.04 | QSARToolbox | 0 » -1 |