158196-34-0
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.