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75057-97-5

75057-97-5 structural image
Product Name: Descarbamylnovobiocin
Formula: C30H35NO10
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COMPUTED DESCRIPTORS

Molecular Weight 569.6 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 569.22609631 g/mol
Monoisotopic Mass 569.22609631 g/mol
Topological Polar Surface Area 164 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1040
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

Descarbamoylnovobiocin is a hydroxycoumarin that is novobiocin lacking the carbamoyl group from position 3 on the hexose ring. It has a role as a metabolite. It is a member of benzamides, a hydroxycoumarin, a hexoside and a monosaccharide derivative. It is a conjugate acid of a descarbamoylnovobiocin(1-).