(2β,3β,4α)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioic acid
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![(2β,3β,4α)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6e0ce892b50f421387a8d3c91c5ecdf0.png "(2β,3β,4α)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioic acid")
(2β,3β,4α)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioic acid
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CAS No:
37838-43-0
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Formula:
C48H76O21
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Chemical Name:
(2β,3β,4α)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioic acid
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Synonyms:
Olean-12-ene-23,28-dioic acid,3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl)oxy]-2-hydroxy-,(2β,3β,4α)-;(2β,3β,4α)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioic acid;Medicagenic acid β-O-triglucoside;41162-94-1
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CAS No:
(2β,3β,4α)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioic acid Basic Attributes
989.1 g/mol
989.10
DTXSID70331676
Computed Properties
Molecular Weight:989.1
XLogP3:-0.1
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:11
Exact Mass:988.48790943
Monoisotopic Mass:988.48790943
Topological Polar Surface Area:353
Heavy Atom Count:69
Complexity:1940
Defined Atom Stereocenter Count:25
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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