Isoschaftoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Also Known As: Isoschaftoside|Isoshaftoside|Isoschaftoside (Standard)|apigenin-C-hexoside-pentoside|apigenin-C-hexaose-C-pentoside|apigenin-6-C-arabinosylglucoside|HY-N1458R|WLZ4713|HY-N1458|6-C-arabinose-8-C-glucose-apigenin|apigenin 6-C-arabinoside 8-C-glucoside|apigenin 6-C-pentosyl-8-C-hexoside|6-C-arabinosyl 8-C-glucosylapigenin|6-C-arabinosyl-8-C-glucosylapigenin|8157AH|apigenin 6-C-pentoside-8-C-hexoside|APIGENIN-6-ARABINOSIDE-8-GLUCOSIDE|apigenin-6-C-arabinose-8-C-glucoside|Apigenin 6-C-arabinosyl-8-C-glucoside|apigenin-6-C-arabinosyl-8-C-glucoside|apigenin 6-C-arabinoside-8-C-glucoside|ISOSCHAFTOSIDE (REFERENCE GRADE)
| Molecular Formula | C26H28O14 |
|---|---|
| Molecular Weight | 564.1479 g/mol |
| LogP | -1.7543 |
| Topological Polar Surface Area | 250.97 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.1479 |
| Monoisotopic Mass | 564.1479 |
| Heavy Atoms | 40 |
| Complexity | 1450.762 |
Chemical Identifiers
| CAS Number | 52012-29-0 |
|---|---|
| SMILES | C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O |
Product Overview
Isoschaftoside (CAS 52012-29-0), with molecular formula C26H28O14 and molecular weight 564.1479 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one.