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91653-50-8

91653-50-8 structural image
Product Name: glucopyranosyl-(1-3)-deltonin
Formula: C51H82O22
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COMPUTED DESCRIPTORS

Molecular Weight 1047.2 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 11
Exact Mass 1046.52977424 g/mol
Monoisotopic Mass 1046.52977424 g/mol
Topological Polar Surface Area 335 Ų
Heavy Atom Count 73
Formal Charge 0
Complexity 1940
Isotope Atom Count 0
Defined Atom Stereocenter Count 31
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Zingiberen newsaponin is a natural product found in Balanites roxburghii, Dioscorea zingiberensis, and other organisms with data available.