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113866-64-1

113866-64-1 structural image
Product Name: Pedunculagin
Formula: C34H24O22
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COMPUTED DESCRIPTORS

Molecular Weight 784.5 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 22
Rotatable Bond Count 0
Exact Mass 784.07592239 g/mol
Monoisotopic Mass 784.07592239 g/mol
Topological Polar Surface Area 377 Ų
Heavy Atom Count 56
Formal Charge 0
Complexity 1510
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 5
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

alpha-D-Glucopyranose cyclic 2,3:4,6-bis[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] is a natural product found in Punica granatum and Rhoiptelea chiliantha with data available.