COMPUTED DESCRIPTORS
Molecular Weight | 311.29 g/mol |
---|---|
XLogP3 | -0.9 |
Hydrogen Bond Donor Count | 5 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 4 |
Exact Mass | 311.10050188 g/mol |
Monoisotopic Mass | 311.10050188 g/mol |
Topological Polar Surface Area | 143 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 411 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 6 |
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
(R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile is a natural product found in Oxyanthus speciosus and Sambucus nigra with data available.