Cernuoside
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
Also Known As: Cernuoside|Compound NP-025055|(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one|(Z)-2-((3,4-Dihydroxyphenyl)methylene)-4-(beta-D-glucopyranosyloxy)-6-hydroxy-3(2H)-benzofuranone|3(2H)-Benzofuranone, 2-((3,4-dihydroxyphenyl)methylene)-4-(beta-D-glucopyranosyloxy)-6-hydroxy-, (Z)-|(2Z)-2-((3,4-dihydroxyphenyl)methylidene)-6-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1-benzofuran-3-one|(2Z)-2-[(3,4-Dihydroxyphenyl)methylidene]-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-4-yl beta-D-glucopyranoside|(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-one|2-((3,4-dihydroxyphenyl)methylidene)-6-hydroxy-4-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1-benzofuran-3-one|2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one|2-[(Z)-(3,4-Dihydroxyphenyl)methylene]-4-(beta-D-glucopyranosyloxy)-6-hydroxy-3(2H)-benzofuranone
| Molecular Formula | C21H20O11 |
|---|---|
| Molecular Weight | 448.10056 g/mol |
| LogP | -0.4017 |
| Topological Polar Surface Area | 186.37 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.10056 |
| Monoisotopic Mass | 448.10056 |
| Heavy Atoms | 32 |
| Complexity | 1077.6559 |
Chemical Identifiers
| CAS Number | 480-69-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
Product Overview
Cernuoside (CAS 480-69-3), with molecular formula C21H20O11 and molecular weight 448.10056 g/mol. IUPAC: (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one.