Procyanidin B2

Procyanidin B2
Compound Structure:
Synonyms: Procyanidin; B2 29106-49-8 ;Procyanidol B2 ;+)-Procyanidin B2; Procyanidin B-2
Compound ID: NMPC-1429
PubChem ID:

122738
Molecular Formula: C30H26O12
Canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
InChIKey: XFZJEEAOWLFHDH-NFJBMHMQSA-N
About the compound:

Procyanidin B2 is a proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomumverum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegusmonogyna (Common hawthorn, in the flower and blossom), in Uncariaguianensis (Cat's claw, in the root), in Vitisvinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysantherautilis and in red wine. It has a role as a metabolite and an antioxidant. It is a hydroxyflavan, a proanthocyanidin, a biflavonoid and a polyphenol. It is functionally related to a (-)-epicatechin.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

578.5 g/mol

XLogP3-AA

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

221Ų

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

Source: PubChem                                    
Source Species: Chrysophyllum albidum
Sterculia tragacantha
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