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36001-47-5

36001-47-5 structural image
Product Name: vescalagin
Formula: C41H26O26
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 200 °C

COMPUTED DESCRIPTORS

Molecular Weight 934.6 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 16
Hydrogen Bond Acceptor Count 26
Rotatable Bond Count 0
Exact Mass 934.07123093 g/mol
Monoisotopic Mass 934.07123093 g/mol
Topological Polar Surface Area 455 Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 1960
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

Vescalagin is a natural product found in Punica granatum, Quercus faginea, and other organisms with data available.