Molecule ID: mol30130

SMILES: COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(O)(O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O

InChI: InChI=1S/C25H24O11/c1-33-17-6-11(2-4-14(17)28)22-20(10-26)34-16-5-3-12(7-18(16)35-22)23-24(30)25(31,32)21-15(29)8-13(27)9-19(21)36-23/h2-9,20,22-24,26-32H,10H2,1H3/t20-,22-,23-,24-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization