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60037-39-0

60037-39-0 structural image
Product Name: G13
Formula: C48H64O27
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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.