COMPUTED DESCRIPTORS
| Molecular Weight | 313.30 g/mol |
|---|---|
| XLogP3 | -2.3 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 313.11615195 g/mol |
| Monoisotopic Mass | 313.11615195 g/mol |
| Topological Polar Surface Area | 143 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 497 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(2Z)-2-[(4S,6R)-4-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile is a natural product found in Sinomenium acutum, Ilex verticillata, and other organisms with data available.