711029-32-2
Product Name:
2,4-Pentadienoic acid, 5-[(1R,6R)-6-[(β-D-glucopyranosyloxy)methyl]-1-hydroxy-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)-
Formula:
C21H30O10
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 442.5 g/mol |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 442.18389715 g/mol |
| Monoisotopic Mass | 442.18389715 g/mol |
| Topological Polar Surface Area | 174 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 787 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(2E,4E)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid is an apo carotenoid sesquiterpenoid.