Bractein
(2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
Also Known As: Bractein|(2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one|(2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzouran-3-one|(2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylene]benzofuran-3-one|2-[(Z)-(3,4,5-Trihydroxyphenyl)methylene]-4-(beta-D-glucopyranosyloxy)-6-hydroxybenzofuran-3(2H)-one|6-Hydroxy-3-oxo-2-(3,4,5-trihydroxybenzylidene)-2,3-dihydro-1-benzofuran-4-yl hexopyranoside
| Molecular Formula | C21H20O12 |
|---|---|
| Molecular Weight | 464.0955 g/mol |
| LogP | -0.6961 |
| Topological Polar Surface Area | 206.6 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.0955 |
| Monoisotopic Mass | 464.0955 |
| Heavy Atoms | 33 |
| Complexity | 1101.4636 |
Chemical Identifiers
| CAS Number | 22684-08-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)/C=C\2/C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O |
Product Overview
Bractein (CAS 22684-08-8), with molecular formula C21H20O12 and molecular weight 464.0955 g/mol. IUPAC: (2Z)-6-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one.
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