2,3,4,5,6,7,16,17,18,19,20,21-Dodecahydroxy-9,14,23,27-tetraoxo-9,10a,11a,12,14,23,24a,25,25a,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':5,6]pyrano[3,2-b][1,5]dioxacycloundecin-2
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2,3,4,5,6,7,16,17,18,19,20,21-Dodecahydroxy-9,14,23,27-tetraoxo-9,10a,11a,12,14,23,24a,25,25a,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':5,6]pyrano[3,2-b][1,5]dioxacycloundecin-2
structure -
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CAS No:
109742-46-3
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Formula:
C41H28O26
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Chemical Name:
2,3,4,5,6,7,16,17,18,19,20,21-Dodecahydroxy-9,14,23,27-tetraoxo-9,10a,11a,12,14,23,24a,25,25a,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':5,6]pyrano[3,2-b][1,5]dioxacycloundecin-2
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Synonyms:
cuspinin;roxbin B;Roxbin B;109742-46-3;DTXSID90911318;2,3,4,5,6,7,16,17,18,19,20,21-Dodecahydroxy-9,14,23,27-tetraoxo-9,10a,11a,12,14,23,24a,25,25a,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':5,6]pyrano[3,2-b][1,5]dioxacycloundecin-2;beta-D-Glucopyranose, cyclic 1,2:4,6-bis(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(3,4,5-trihydroxybenzoate), (1(S),4(S))-
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CAS No:
2,3,4,5,6,7,16,17,18,19,20,21-Dodecahydroxy-9,14,23,27-tetraoxo-9,10a,11a,12,14,23,24a,25,25a,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':5,6]pyrano[3,2-b][1,5]dioxacycloundecin-2 Basic Attributes
936.6 g/mol
936.08688099 g/mol
Computed Properties
Molecular Weight:936.6
XLogP3:2.1
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:26
Rotatable Bond Count:3
Exact Mass:936.08688099
Monoisotopic Mass:936.08688099
Topological Polar Surface Area:444
Heavy Atom Count:67
Complexity:1860
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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