COMPUTED DESCRIPTORS
| Molecular Weight | 1073.0 g/mol |
|---|---|
| XLogP3 | -3.5 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 27 |
| Rotatable Bond Count | 23 |
| Exact Mass | 1072.36349676 g/mol |
| Monoisotopic Mass | 1072.36349676 g/mol |
| Topological Polar Surface Area | 402 Ų |
| Heavy Atom Count | 75 |
| Formal Charge | 0 |
| Complexity | 2050 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 17 |
| 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
methyl (5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-5-[2-[(2S,3E)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-3,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-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 Ligustrum obtusifolium with data available.