(2β,3β,4α)-3-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,23-dihydroxyolean-12-en-28-oic acid
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![(2β,3β,4α)-3-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,23-dihydroxyolean-12-en-28-oic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1c3ff21698b74236b299d3f2309960e4.png "(2β,3β,4α)-3-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,23-dihydroxyolean-12-en-28-oic acid")
(2β,3β,4α)-3-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,23-dihydroxyolean-12-en-28-oic acid
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CAS No:
92622-05-4
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Formula:
C42H68O15
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Chemical Name:
(2β,3β,4α)-3-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,23-dihydroxyolean-12-en-28-oic acid
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Synonyms:
Olean-12-en-28-oic acid,3-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,23-dihydroxy-,(2β,3β,4α)-;(2β,3β,4α)-3-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,23-dihydroxyolean-12-en-28-oic acid
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CAS No:
Description
Bayogenin 3-O-cellobioside is a pentacyclic triterpenoid that is bayogenin substituted at the O-3 position by a cellobiosyl residue. It has a role as a plant metabolite. It is a cellobioside, a disaccharide derivative, a pentacyclic triterpenoid, a triterpenoid saponin and a monocarboxylic acid. It derives from a bayogenin.
(2β,3β,4α)-3-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2,23-dihydroxyolean-12-en-28-oic acid Basic Attributes
813.0 g/mol
812.98
DTXSID80331667
Computed Properties
Molecular Weight:813.0
XLogP3:1.6
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:812.45582146
Monoisotopic Mass:812.45582146
Topological Polar Surface Area:256
Heavy Atom Count:57
Complexity:1540
Defined Atom Stereocenter Count:20
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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