COMPUTED DESCRIPTORS
Molecular Weight | 1073.0 g/mol |
---|---|
XLogP3 | -3.9 |
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 | 19 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(2R,3S,4S,5R,6R)-6-[2-[4-[2-[(2S,3E,4S)-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]oxyphenyl]ethoxy]-3,4,5-trihydroxyoxan-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 Fraxinus excelsior and Ligustrum lucidum with data available.