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103654-50-8

103654-50-8 structural image
Product Name: Mirificin
Formula: C26H28O13
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COMPUTED DESCRIPTORS

Molecular Weight 548.5 g/mol
XLogP3 -1.8
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 6
Exact Mass 548.15299094 g/mol
Monoisotopic Mass 548.15299094 g/mol
Topological Polar Surface Area 216 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 906
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
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

Mirificin is a flavone C-glycoside that is 7,4'-dihydroxyflavone substituted by a 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as a plant metabolite. It is a dihydroxyflavone and a flavone C-glycoside.