2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopynoside (CHEBI:67948)

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CHEBI:67948 - 2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside

ChEBI ID	CHEBI:67948
ChEBI Name	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside
Stars
ASCII Name	2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopynoside
Definition	A triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of arjunolic acid with β-D-glucopyranose. It has been isolated from Juglans sinensis.
Last Modified	20 January 2014
Downloads	Molfile

Formula	C36H58O10
Net Charge	0
Average Mass	650.850
Monoisotopic Mass	650.40300
SMILES	[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@@H](O)[C@H](O)[C@@]1(C)CO
InChI	InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(42)26(41)25(40)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(43)33(4,18-38)23(32)9-10-35(24,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1
InChIKey	CJHYKSSBQRABTM-XJWBRSAFSA-N

Species of Metabolite	Component	Source	Comments
Juglans sinensis (ncbitaxon:442437-1)
	leaf (BTO:0000713)	PubMed (21309591)	80% Methanolic extract of dried leaves and twigs
	twig (BTO:0001411)	PubMed (21309591)	80% Methanolic extract of dried leaves and twigs

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) has functional parent arjunolic acid (CHEBI:68381)
	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) has parent hydride oleanane (CHEBI:36481)
	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) has role plant metabolite (CHEBI:76924)
	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) is a carboxylic ester (CHEBI:33308)
	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) is a monosaccharide derivative (CHEBI:63367)
	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) is a pentacyclic triterpenoid (CHEBI:25872)
	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) is a triterpenoid saponin (CHEBI:61778)
	2α,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopynoside (CHEBI:67948) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
1-O-[2α,3β,23-trihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

Synonym	Source
arjunolic acid-28-O-glucoside	ChEBI

Registry Numbers	Sources
Reaxys:1415971	Reaxys

Citations