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57576-44-0

57576-44-0 structural image
Product Name: Aclarubicin
Formula: C42H53NO15
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COMPUTED DESCRIPTORS

Molecular Weight 811.9 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 10
Exact Mass 811.34151998 g/mol
Monoisotopic Mass 811.34151998 g/mol
Topological Polar Surface Area 217 Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1530
Isotope Atom Count 0
Defined Atom Stereocenter Count 13
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

Aclacinomycin A is an anthracycline antibiotic that is produced by Streptomyces galilaeus and also has potent antineoplastic activity. It has a role as an antimicrobial agent, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an apoptosis inducer, an antineoplastic agent and a bacterial metabolite. It is an anthracycline, an aminoglycoside, a trisaccharide derivative, a polyketide, a member of phenols, a methyl ester and a member of tetracenequinones. It is functionally related to an aklavinone. It is a conjugate base of an aclacinomycin A(1+). It is a tautomer of an aclacinomycin A zwitterion.