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50986-17-9

50986-17-9 structural image
Product Name: delphinidin 3-O-beta-D-glucoside
Formula: C21H21O12+
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COMPUTED DESCRIPTORS

Molecular Weight 465.4 g/mol
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 4
Exact Mass 465.10330110 g/mol
Monoisotopic Mass 465.10330110 g/mol
Topological Polar Surface Area 202 Ų
Heavy Atom Count 33
Formal Charge 1
Complexity 641
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

Delphinidin 3-O-beta-D-glucoside is an anthocyanin cation consisting of delphinidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. It has a role as a plant metabolite. It is a beta-D-glucoside and an anthocyanin cation. It is functionally related to a delphinidin. It is a conjugate acid of a delphinidin 3-O-beta-D-glucoside betaine.