astragaloside II (CHEBI:91026)

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CHEBI:91026 - astragaloside II

ChEBI ID	CHEBI:91026
ChEBI Name	astragaloside II
Stars
Definition	A triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2-O-acetyl-β-D-xylosyl and β-D-glucosyl residues respectively.
Last Modified	28 January 2016
Submitter	Steve
Downloads	Molfile

Formula	C43H70O15
Net Charge	0
Average Mass	827.018
Monoisotopic Mass	826.47147
SMILES	[H][C@@]12C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]3([H])C(C)(C)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4OC(C)=O)CC[C@@]34C[C@@]14CC[C@@]1(C)[C@@]2(C)C[C@H](O)[C@]1([H])[C@@]1(C)CC[C@@H](C(C)(C)O)O1
InChI	InChI=1S/C43H70O15/c1-20(45)54-32-28(48)22(47)18-53-36(32)57-26-10-12-43-19-42(43)14-13-39(6)33(41(8)11-9-27(58-41)38(4,5)52)21(46)16-40(39,7)25(42)15-23(34(43)37(26,2)3)55-35-31(51)30(50)29(49)24(17-44)56-35/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23-,24+,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,35+,36-,39+,40-,41+,42-,43+/m0/s1
InChIKey	AYWNHWGQTMCQIV-PENCHUSISA-N

Species of Metabolite	Component	Source	Comments
Astragalus mongholicus (ncbitaxon:119829)	-	MetaboLights (MTBLS189)
Astragalus membranaceus (ncbitaxon:649199)	-	PubMed (25068786)

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)
	astragaloside II (CHEBI:91026) has functional parent cycloastragenol (CHEBI:71314)
	astragaloside II (CHEBI:91026) has role plant metabolite (CHEBI:76924)
	astragaloside II (CHEBI:91026) is a monosaccharide derivative (CHEBI:63367)
	astragaloside II (CHEBI:91026) is a oxolanes (CHEBI:26912)
	astragaloside II (CHEBI:91026) is a pentacyclic triterpenoid (CHEBI:25872)
	astragaloside II (CHEBI:91026) is a triterpenoid saponin (CHEBI:61778)
	astragaloside II (CHEBI:91026) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(3β,6α,9β,16β,20R,24S)-3-[(2-O-acetyl-β-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl β-D-glucopyranoside

Synonym	Source
Astrasieversianin VIII	ChemIDplus

Manual Xrefs	Databases
C17798	KEGG COMPOUND
C00035247	KNApSAcK

Registry Numbers	Sources
Reaxys:5722138	Reaxys
CAS:84676-89-1	KEGG COMPOUND
CAS:91739-01-4	ChemIDplus

Citations