CHEBI:91024 - astragaloside I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name astragaloside I
ChEBI ID CHEBI:91024
Definition A triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2,3-di-O-acetyl-β-D-xylosyl and β-D-glucosyl residues respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C45H72O16
Net Charge 0
Average Mass 869.045
Monoisotopic Mass 868.48204
InChI InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,34+,35-,36-,37+,38-,41+,42-,43+,44-,45+/m0/s1
InChIKey KXHCYYSIAXMSPA-OOCCOBHWSA-N
SMILES C1[C@@H](C(C)(C)[C@@]2([C@H](C[C@@]3([C@]4([C@@]2(C4)C1)CC[C@]5(C)[C@@]([C@@H](O)C[C@@]35C)([H])[C@]6(C)O[C@H](C(C)(C)O)CC6)[H])O[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO)O)O)[H])O[C@H]8[C@@H]([C@H]([C@H](O)CO8)OC(=O)C)OC(=O)C
Metabolite of Species Details
Astragalus mongholicus (NCBI:txid119829) See: MetaboLights Study
Astragalus membranaceus (NCBI:txid649199) See: PubMed
Roles Classification
Biological Role(s): 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.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing astragaloside I (CHEBI:91024) has functional parent cycloastragenol (CHEBI:71314)
astragaloside I (CHEBI:91024) has role plant metabolite (CHEBI:76924)
astragaloside I (CHEBI:91024) is a β-D-glucoside (CHEBI:22798)
astragaloside I (CHEBI:91024) is a monosaccharide derivative (CHEBI:63367)
astragaloside I (CHEBI:91024) is a oxolanes (CHEBI:26912)
astragaloside I (CHEBI:91024) is a pentacyclic triterpenoid (CHEBI:25872)
astragaloside I (CHEBI:91024) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(3β,6α,9β,16β,20R,24S)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl β-D-glucopyranoside
Synonym Source
Astrasieversianin IV ChemIDplus
Manual Xrefs Databases
C00050007 KNApSAcK
C17797 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
5722877 Reaxys Registry Number Reaxys
84680-75-1 CAS Registry Number KNApSAcK
91739-00-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17252355 PubMed citation Europe PMC
18346946 PubMed citation Europe PMC
23595393 PubMed citation Europe PMC
25068786 PubMed citation Europe PMC
26065638 PubMed citation Europe PMC
26214884 PubMed citation Europe PMC
Last Modified
28 January 2016