Schaftoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Also Known As: Schaftoside|s9234|5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one|4H-1-Benzopyran-4-one, 8alpha-L-arabinopyranosyl-6beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
CAS: 51938-32-0
| Molecular Formula | C26H28O14 |
|---|---|
| Molecular Weight | 564.1479 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.1479 |
| Monoisotopic Mass | 564.1479 |
| Heavy Atoms | 40 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 51938-32-0 |
|---|---|
| SMILES | C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O |
| InChIKey | MMDUKUSNQNWVET-WMRYYKKOSA-N |
Product Overview
Schaftoside (CAS 51938-32-0), with molecular formula C26H28O14 and molecular weight 564.1479 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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