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125774-71-2

125774-71-2 structural image
Product Name: WS 9326A
Formula: C54H68N8O13
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COMPUTED DESCRIPTORS

Molecular Weight 1037.2 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 15
Exact Mass 1036.49058425 g/mol
Monoisotopic Mass 1036.49058425 g/mol
Topological Polar Surface Area 325 Ų
Heavy Atom Count 75
Formal Charge 0
Complexity 2070
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 8
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-enamide is a natural product found in Streptomyces violaceusniger with data available.