Bractein structure

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

CAS: 22684-08-8
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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