Procyanidin B2

Chemical Information
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 Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine. It has a role as an antioxidant and a metabolite. It is a polyphenol, a proanthocyanidin, a biflavonoid and a hydroxyflavan. It is functionally related to a (-)-epicatechin.
| CAS Number | 29106-49-8 |
| PubChem CID | 122738 |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.5 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 221 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 925 |
| Property | Value |
|---|---|
| Molecular Weight | 578.5 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 3 |
| Exact Mass | 578.14242626 |
| Monoisotopic Mass | 578.14242626 |
| 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 |
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