Olean-12-en-28-oic acid, 3-(sulfooxy)-, 28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester, (3β)-
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Olean-12-en-28-oic acid, 3-(sulfooxy)-, 28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester, (3β)-
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CAS No:
99633-18-8
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Formula:
C54H88O26S
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Chemical Name:
Olean-12-en-28-oic acid, 3-(sulfooxy)-, 28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester, (3β)-
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Synonyms:
Olean-12-en-28-oic acid,3-(sulfooxy)-,28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester,(3β)-;Rotundioside B
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CAS No:
Olean-12-en-28-oic acid, 3-(sulfooxy)-, 28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester, (3β)- Basic Attributes
1184.3 g/mol
1185.33
DTXSID80331682
Computed Properties
Molecular Weight:1184.3
XLogP3:-0.7
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:26
Rotatable Bond Count:14
Exact Mass:1183.52062905
Monoisotopic Mass:1183.52062905
Topological Polar Surface Area:429
Heavy Atom Count:81
Formal Charge:-1
Complexity:2360
Defined Atom Stereocenter Count:28
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-, (3β)-
50657-29-9
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Olean-12-en-28-oic acid, 3,23-[[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]bis(carbonyloxy)]-2,24-dihydroxy-, β-D-glucopyranosyl ester, (2α,3β,4α)- (9CI)
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Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-6-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-, (3β)-
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