Molecule ID: mol30128

SMILES: COc1cc(C(=O)C(/C=C2\CC=C(O)C=C2O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

InChI: InChI=1S/C23H28O12/c1-32-14-6-11(7-15(33-2)19(14)28)18(27)16(5-10-3-4-12(25)8-13(10)26)34-23-22(31)21(30)20(29)17(9-24)35-23/h4-8,16-17,20-26,28-31H,3,9H2,1-2H3/b10-5+/t16?,17-,20-,21+,22-,23-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.99 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization