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113395-84-9

113395-84-9 structural image
Product Name: grincamycin
Formula: C49H62O18
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COMPUTED DESCRIPTORS

Molecular Weight 939.0 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 8
Exact Mass 938.39361512 g/mol
Monoisotopic Mass 938.39361512 g/mol
Topological Polar Surface Area 260 Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 2040
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 14
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

9-[(2S,3S,4R,5S)-3,4-dihydroxy-6-methyl-5-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxan-2-yl]-4a,8,12b-trihydroxy-3-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione is a natural product found in Streptomyces griseoincarnatus and Streptomyces lusitanus with data available.