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158196-34-0

158196-34-0 structural image
Product Name: Naringenin 7-O-β-D-Glucuronide (Mixture of Diastereomers)
Formula: C21H20O11
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COMPUTED DESCRIPTORS

Molecular Weight 448.4 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 4
Exact Mass 448.10056145 g/mol
Monoisotopic Mass 448.10056145 g/mol
Topological Polar Surface Area 183 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 693
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

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid is a natural product found in Centaurea raphanina and Garcinia prainiana with data available.