Cinerubin B
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Cinerubin B
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CAS No:
35906-51-5
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Formula:
C42H51NO16
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Chemical Name:
Cinerubin B
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Synonyms:
1-Naphthacenecarboxylic acid,4-[[[2′′′,3′′-anhydro]-O-3,6-dideoxy-α-L-erythro-hexopyranos-4-ulos-1-yl-(1→4)-O-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-,methyl ester,(1R,2R,4S)-;1-Naphthacenecarboxylic acid,4-[[[2′′′,3′′-anhydro]-O-3,6-dideoxy-α-L-erythro-hexopyranos-4-ulos-1-yl-(1→4)-O-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-,methyl ester,[1R-(1α,2β,4β)]-;2H,7H-Dipyrano[2,3-b:4′,3′-e][1,4]dioxin,1-naphthacenecarboxylic acid deriv.;Cinerubine B;Cinerubin B;NSC 18335;Antibiotic MA 144B2;MA 144B2;Ciclamycin 1;1-Hydroxyaclacinomycin B;NSC 62490
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CAS No:
Computed Properties
Molecular Weight:825.8
XLogP3:4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:825.32078454
Monoisotopic Mass:825.32078454
Topological Polar Surface Area:226
Heavy Atom Count:59
Complexity:1610
Defined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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