CHEBI:2897 - astragaloside III

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name astragaloside III
ChEBI ID CHEBI:2897
Definition A triterpenoid saponin that is cycloastragenol with a 2-O-β-D-glucopyranosyl-β-D-xylopyranosyl moiety attached at position 3 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C41H68O14
Net Charge 0
Average Mass 784.97020
Monoisotopic Mass 784.46091
InChI InChI=1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1
InChIKey FVFSMBDVZVUETN-BQAOMNQWSA-N
SMILES [H][C@@]12C[C@H](O)[C@@]3([H])C(C)(C)[C@H](CC[C@@]33C[C@@]13CC[C@]1(C)[C@]([H])([C@@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O1)C(C)(C)O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): 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 III (CHEBI:2897) has functional parent cycloastragenol (CHEBI:71314)
astragaloside III (CHEBI:2897) is a disaccharide derivative (CHEBI:63353)
astragaloside III (CHEBI:2897) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(3β,6α,9β,16β,20R,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside
Manual Xrefs Databases
C00003500 KNApSAcK
C08924 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
5697310 Reaxys Registry Number Reaxys
84687-42-3 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
22902230 PubMed citation Europe PMC
Last Modified
28 January 2016