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Homecas301845-97-6

301845-97-6

301845-97-6 structural image
Product Name: simocyclinone D8
Formula: C46H42ClNO18
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COMPUTED DESCRIPTORS

Molecular Weight 932.3 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 11
Exact Mass 931.2090412 g/mol
Monoisotopic Mass 931.2090412 g/mol
Topological Polar Surface Area 306 Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 2250
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 4
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

CID 54696356 is a natural product found in Streptomyces antibioticus with data available.

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