Oenothein B
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Oenothein B
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CAS No:
104987-36-2
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Formula:
C68H48O44
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Chemical Name:
Oenothein B
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Synonyms:
D-Glucose,cyclic 4,6-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 2-[2-[[(1S)-6,6′-dicarboxy-2,2′,3,3′,4′-pentahydroxy[1,1′-biphenyl]-4-yl]oxy]-3,4,5-trihydroxybenzoate] 3-(3,4,5-trihydroxybenzoate),cyclic ester with D-glucose 3-(3,4,5-trihydroxybenzoate);D-Glucose,cyclic 4,6-[4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 2-[2-[(6,6′-dicarboxy-2,2′,3,3′,4′-pentahydroxy[1,1′-biphenyl]-4-yl)oxy]-3,4,5-trihydroxybenzoate] 3-(3,4,5-trihydroxybenzoate),cyclic ester with D-glucose 3-(3,4,5-trihydroxybenzoate),[2(S),4(S)]-;18,8-(Epoxymethano)-38,30-(ethanoxymethano)-6,9:28,31-dietheno-14H,16H,22H,36H,38H,42H-tetrabenzo[b,k,r,c1][1,5,9,17,21,27]hexaoxacyclotetratriacontin,D-glucose deriv.;Oenothein B
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CAS No:
Computed Properties
Molecular Weight:1571.1
XLogP3:1.3
Hydrogen Bond Donor Count:25
Hydrogen Bond Acceptor Count:44
Rotatable Bond Count:14
Exact Mass:1570.1674948
Monoisotopic Mass:1570.1674948
Topological Polar Surface Area:744
Heavy Atom Count:112
Complexity:3340
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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