Molecule ID: mol32169
SMILES: CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)C6O)c4O[C@H]2[C@@H](O)C=CC3[C@H]1C5
InChI: InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10?,11-,12+,15-,16+,17?,19+,20+,22-,23+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.87 | OCHEM | 1 » 0 |
| 8.21 | OCHEM | 0 » -1 |