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Homecas123748-68-5

123748-68-5

123748-68-5 structural image
Product Name: AESCIN IA(SH)
Formula: C55H86O24
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COMPUTED DESCRIPTORS

Molecular Weight 1131.3 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 24
Rotatable Bond Count 16
Exact Mass 1130.55090361 g/mol
Monoisotopic Mass 1130.55090361 g/mol
Topological Polar Surface Area 388 Ų
Heavy Atom Count 79
Formal Charge 0
Complexity 2300
Isotope Atom Count 0
Defined Atom Stereocenter Count 27
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

escin Ia is a natural product found in Aesculus chinensis and Aesculus hippocastanum with data available.