57799-96-9
Product Name:
(2S)-3-[(E)-2-Acetoxyethylidene]-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-methoxycarbonyl-2H-pyran-4α-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester
Formula:
C27H34O15
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 598.5 g/mol |
|---|---|
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 14 |
| Exact Mass | 598.18977037 g/mol |
| Monoisotopic Mass | 598.18977037 g/mol |
| Topological Polar Surface Area | 228 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 996 |
| 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
methyl (4S,5E,6S)-5-(2-acetyloxyethylidene)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate is a natural product found in Osmanthus heterophyllus with data available.