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27994-11-2

27994-11-2 structural image
Product Name: CIMIGENOL 3-O-BETA-D-XYLOPYRANOSIDE
Formula: C35H56O9
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COMPUTED DESCRIPTORS

Molecular Weight 620.8 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 3
Exact Mass 620.39243336 g/mol
Monoisotopic Mass 620.39243336 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 1210
Isotope Atom Count 0
Defined Atom Stereocenter Count 17
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

Cimigenol 3-O-beta-D-xylopyranoside is a cucurbitacin and a glycoside. It has a role as a metabolite.