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71385-83-6

71385-83-6 structural image
Product Name: 6''-O-ACETYLDAIDZIN
Formula: C23H22O10
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COMPUTED DESCRIPTORS

Molecular Weight 458.4 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 458.12129689 g/mol
Monoisotopic Mass 458.12129689 g/mol
Topological Polar Surface Area 152 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 746
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Daidzein 7-(6-O-acetyl-beta-D-glucoside) is a glycosyloxyisoflavone that is daidzein in which the phenolic hydrogen at position 7 has been replaced by a 6-O-acetyl-beta-D-glucosyl residue. It has a role as a plant metabolite and a human xenobiotic metabolite. It is a beta-D-glucoside, an O-acyl carbohydrate, an acetate ester, a glycosyloxyisoflavone, a hydroxyisoflavone, a monosaccharide derivative and a member of phenols. It is functionally related to a daidzein.