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114804-65-8

114804-65-8 structural image
Product Name: scopadulcic acid B
Formula: C27H34O5
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COMPUTED DESCRIPTORS

Molecular Weight 438.6 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 438.24062418 g/mol
Monoisotopic Mass 438.24062418 g/mol
Topological Polar Surface Area 80.7 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 830
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
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

Scopadulcic acid B is a natural product found in Scoparia dulcis with data available.