68735-76-2
Product Name:
β-D-Glucopyranoside, 4-[[[2-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl
Formula:
C27H26O18
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 638.5 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 10 |
| Exact Mass | 638.11191398 g/mol |
| Monoisotopic Mass | 638.11191398 g/mol |
| Topological Polar Surface Area | 314 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 989 |
| 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
4-[[[2-(5-Carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl beta-D-glucopyranoside is a natural product found in Castanopsis cuspidata and Castanea mollissima with data available.