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80321-69-3

80321-69-3 structural image
Product Name: GYPENOSIDE-XVII
Formula: C48H82O18
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COMPUTED DESCRIPTORS

Molecular Weight 947.2 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 13
Exact Mass 946.55011576 g/mol
Monoisotopic Mass 946.55011576 g/mol
Topological Polar Surface Area 298 Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1680
Isotope Atom Count 0
Defined Atom Stereocenter Count 25
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

Gypenoside XVII is a ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranoside and beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. It has a role as a plant metabolite. It is a 12beta-hydroxy steroid, a beta-D-glucoside, a disaccharide derivative, a ginsenoside and a tetracyclic triterpenoid. It derives from a hydride of a dammarane.