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81202-36-0

81202-36-0 structural image
Product Name: 4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)phenyl)-2,3-dihy dro-5,7-dihydroxy-, (2S)-
Formula: C21H22O10
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COMPUTED DESCRIPTORS

Molecular Weight 434.4 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 434.12129689 g/mol
Monoisotopic Mass 434.12129689 g/mol
Topological Polar Surface Area 166 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 623
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

4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)phenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)- is a natural product found in Juniperus communis and Juniperus communis var. depressa with data available.