30462-35-2
Product Name:
Theaflavin 3,3′-digallate
Formula:
C43H32O20
Synonyms:
(S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone;8-Gingerol
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COMPUTED DESCRIPTORS
| Molecular Weight | 868.7 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 8 |
| Exact Mass | 868.14869341 g/mol |
| Monoisotopic Mass | 868.14869341 g/mol |
| Topological Polar Surface Area | 351 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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
Theaflavin 3,3'-digallate is a catechin.