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82198-76-3

82198-76-3 structural image
Product Name: VancoMycin Aglycon
Formula: C53H52Cl2N8O17
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COMPUTED DESCRIPTORS

Molecular Weight 1143.9 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 15
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 8
Exact Mass 1142.2827476 g/mol
Monoisotopic Mass 1142.2827476 g/mol
Topological Polar Surface Area 407 Ų
Heavy Atom Count 80
Formal Charge 0
Complexity 2290
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
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

Vancomycin aglycone is a peptide antibiotic that is vancomycin lacking the disaccharide moiety. It has a role as a metabolite. It is a peptide antibiotic, a heterodetic cyclic peptide, a cyclic ether and a polyphenol. It is a conjugate acid of a vancomycin aglycone(1-). It is a tautomer of a vancomycin aglycone zwitterion.