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18894-12-7

18894-12-7 structural image
Product Name: Gibbane-1,10-dicarboxylic acid, 3-(β-D-glucopyranosyloxy)-2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,3β,4aα,4bβ,10β)- (9CI)
Formula: C25H34O12
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COMPUTED DESCRIPTORS

Molecular Weight 526.5 g/mol
XLogP3 -2.3
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 4
Exact Mass 526.20502652 g/mol
Monoisotopic Mass 526.20502652 g/mol
Topological Polar Surface Area 203 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 1050
Isotope Atom Count 0
Defined Atom Stereocenter Count 14
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

Phaseolus e is a natural product found in Phaseolus coccineus with data available.