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Homecas128730-82-5

128730-82-5

128730-82-5 structural image
Product Name: kalopanax saponin H
Formula: C47H76O17
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COMPUTED DESCRIPTORS

Molecular Weight 913.1 g/mol
XLogP3 2
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 9
Exact Mass 912.50825095 g/mol
Monoisotopic Mass 912.50825095 g/mol
Topological Polar Surface Area 275 Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 1750
Isotope Atom Count 0
Defined Atom Stereocenter Count 22
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid is a natural product found in Kalopanax septemlobus and Acer pictum with data available.