Hypoxoside
(2S,3R,4S,5S,6R)-2-[2-hydroxy-4-[(E)-5-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Hypoxoside|1,5-Bis(4'-glucopyranosyloxy-3'-hydroxyphenyl)pent-4-en-1-yne|(2S,3R,4S,5S,6R)-2-[2-hydroxy-4-[(E)-5-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|beta-D-Glucopyranoside, 1-penten-4-yne-1,5-diylbis(2-hydroxy-4,1-phenylene)bis-, (E)-|(2S,3R,4S,5S,6R)-2-(2-hydroxy-4-((E)-5-(3-hydroxy-4-((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)pent-1-en-4-ynyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol|(2S,3R,4S,5S,6R)-2-(2-hydroxy-4-((E)-5-(3-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)pent-1-en-4-ynyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C29H34O14 |
|---|---|
| Molecular Weight | 606.1949 g/mol |
| LogP | -2.0898 |
| Topological Polar Surface Area | 239.22 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 606.1949 |
| Monoisotopic Mass | 606.1949 |
| Heavy Atoms | 43 |
| Complexity | 1317.9921 |
Chemical Identifiers
| CAS Number | 83643-94-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/CC#CC2=CC(=C(C=C2)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Product Overview
Hypoxoside (CAS 83643-94-1), with molecular formula C29H34O14 and molecular weight 606.1949 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-[(E)-5-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.