repandusinic acid A, sodium salt
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repandusinic acid A, sodium salt
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CAS No:
125516-10-1
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Formula:
C41H30O28
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Chemical Name:
repandusinic acid A, sodium salt
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Synonyms:
repandusinic acid A;repandusinic acid A, sodium salt;Repandusinic acid A;125516-10-1;beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 4-(4-hydrogen 2-(3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)-2-butenedioate) 1-(3,4,5-trihydroxybenzoate), stereoisomer
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CAS No:
Computed Properties
Molecular Weight:970.7
XLogP3:0.3
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:28
Rotatable Bond Count:9
Exact Mass:970.09236030
Monoisotopic Mass:970.09236030
Topological Polar Surface Area:478
Heavy Atom Count:69
Complexity:2020
Undefined Atom Stereocenter Count:7
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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