5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione
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![5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d9afc2053dc84016807421c4b4d8639b.png "5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione")
5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione
structure -
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CAS No:
39262-31-2
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Formula:
C29H26O12
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Chemical Name:
5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione
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Synonyms:
NSC251250;39262-31-2;ZINC05410457;NSC-251250;5'-[7-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,2'-DIHYDROXY[1,1'-BIPHENYL]-3-CARBOXYLIC ACID, INTRAMOL. 3,6'''-ESTER
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CAS No:
5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione Basic Attributes
566.5 g/mol
566.14242626 g/mol
251250
Computed Properties
Molecular Weight:566.5
XLogP3:2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Exact Mass:566.14242626
Monoisotopic Mass:566.14242626
Topological Polar Surface Area:192
Heavy Atom Count:41
Complexity:977
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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