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
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.34 | AttenGpKa training set | 0 » -1 |