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136087-29-1

136087-29-1 structural image
Product Name: Astraisoflavan-7--O--β-D-glucoside
Formula: C23H28O10
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COMPUTED DESCRIPTORS

Molecular Weight 464.5 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 464.16824709 g/mol
Monoisotopic Mass 464.16824709 g/mol
Topological Polar Surface Area 147 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 622
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
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

(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-beta-D-glucopyranoside is a monosaccharide derivative that is (R)-isoflavan substituted by a hydroxy group substituted at position 2', methoxy groups at positions 3' and 4' and a beta-D-glucopyranosyloxy group at position 7 respectively. It has a role as a plant metabolite. It is a beta-D-glucoside, a member of hydroxyisoflavans, a methoxyisoflavan and a monosaccharide derivative. It derives from a hydride of a (R)-isoflavan.