化工社化工社 化学情報印刷レポート · 研究参考用
3-hydroxy-22-methoxy-26-O-glucopyranosyloxy-furost-25(27)-en-2-one-3-O-(O-rhamnopyranosyl-(1-2)-O-(O-arabinopyranosyl-(1-2)-O-(xylopyranosyl-(1-3))-glucopyranosyl-(1-4))galactopyranoside)
3-hydroxy-22-methoxy-26-O-glucopyranosyloxy-furost-25(27)-en-2-one-3-O-(O-rhamnopyranosyl-(1-2)-O-(O-arabinopyranosyl-(1-2)-O-(xylopyranosyl-(1-3))-glucopyranosyl-(1-4))galactopyranoside) · Furostan-2-one, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→2)]-β-D-galactopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-22-methoxy-, (3β,5α,22α,25R)- (9CI)
識別子と物理属性
| CAS No. | 156857-31-7 |
|---|---|
| 分子式 | C62H102O32 |
| 平均分子量 | 1,359.47 g/mol |
| SMILES | CO[C@]1(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(=O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C |
| InChIKey | HCDDAJCHPRFUKB-CGCDITGLSA-N |
| PubChem CID | 190853 |
化学・物理的性質
| 密度 | 1.54±0.1 g/cm3(Predicted) |
|---|---|
| pKa（酸解離定数） | 12.59±0.70(Predicted) |