COMPUTED DESCRIPTORS
| Molecular Weight | 432.4 g/mol |
|---|---|
| XLogP3 | -3.2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 432.12677620 g/mol |
| Monoisotopic Mass | 432.12677620 g/mol |
| Topological Polar Surface Area | 192 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 733 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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
(1S,4aS,5R,7aS)-5-acetyloxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid is a natural product found in Wollastonia biflora, Spermacoce alata, and other organisms with data available.