Molecule ID: mol32182
SMILES: CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@@H]2O[C@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
InChI: InChI=1S/C30H47NO12/c1-15-12-19(10-11-32)28(43-30-27(37)25(31(5)6)26(36)17(3)40-30)29(38-7)23(41-18(4)33)14-24(35)39-16(2)13-22-21(42-22)9-8-20(15)34/h8-9,11,15-17,19,21-23,25-30,36-37H,10,12-14H2,1-7H3/b9-8+/t15-,16-,17-,19+,21+,22+,23-,25+,26-,27-,28+,29+,30+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.44 | QSARToolbox | 1 » 0 |
| 8.44 | OCHEM | 1 » 0 |