COMPUTED DESCRIPTORS
| Molecular Weight | 730.6 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 6 |
| Exact Mass | 730.15338487 g/mol |
| Monoisotopic Mass | 730.15338487 g/mol |
| Topological Polar Surface Area | 288 Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1250 |
| 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 B2 3'-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'R)-hydroxy group of procyanidin B2. It has a role as a metabolite and an antioxidant. It is a proanthocyanidin, a gallate ester, a polyphenol and a biflavonoid. It is functionally related to a gallic acid and a procyanidin B2.