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12798-60-6

12798-60-6 structural image
Product Name: CATECHIN-(4ALPHA->6)-EPICATECHIN
Formula: C30H26O12
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COMPUTED DESCRIPTORS

Molecular Weight 578.5 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 3
Exact Mass 578.14242626 g/mol
Monoisotopic Mass 578.14242626 g/mol
Topological Polar Surface Area 221 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 925
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

Procyanidin B8 is a proanthocyanidin that is (+)-catechin and (-)-epicatechin units joined by a bond between positions 4 and 6' respectively in an alpha-configuration. Procyanidin B8 is found in acorn and is present in fruit and leaves of blackberry (Rubus fruticosus), raspberry (Rubus idaeus) and cowberry (Vaccinium vitis idaea). It can be also found in grape seeds and in beer. It has a role as a metabolite. It is a hydroxyflavan, a proanthocyanidin, a biflavonoid and a polyphenol. It is functionally related to a (-)-epicatechin and a (+)-catechin.