CHEBI:69609 - candidoside

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ChEBI Name candidoside
ChEBI ID CHEBI:69609
Definition A triterpenoid saponin that is primulagenin A attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of Lysimachia clethroides.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C52H86O21
Net Charge 0
Average Mass 1047.22660
Monoisotopic Mass 1046.56616
InChI InChI=1S/C52H86O21/c1-47(2)14-15-52(22-55)24(16-47)23-8-9-30-49(5)12-11-32(48(3,4)29(49)10-13-50(30,6)51(23,7)17-31(52)57)71-45-41(73-44-40(65)37(62)34(59)26(18-53)68-44)36(61)28(21-67-45)70-46-42(38(63)35(60)27(19-54)69-46)72-43-39(64)33(58)25(56)20-66-43/h8,24-46,53-65H,9-22H2,1-7H3/t24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50+,51+,52+/m0/s1
InChIKey ZBXWAYPGKZDHIB-UPJKVGRYSA-N
SMILES CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Metabolite of Species Details
Lysimachia clethroides (NCBI:txid167892) Found in aerial part (BTO:0001658). Air-dried, powdered aerial parts were extracted with 70% aqueous ethyl alcohol. 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 candidoside (CHEBI:69609) has functional parent primulagenin A (CHEBI:70978)
candidoside (CHEBI:69609) has parent hydride oleanane (CHEBI:36481)
candidoside (CHEBI:69609) has role plant metabolite (CHEBI:76924)
candidoside (CHEBI:69609) is a diol (CHEBI:23824)
candidoside (CHEBI:69609) is a pentacyclic triterpenoid (CHEBI:25872)
candidoside (CHEBI:69609) is a tetrasaccharide derivative (CHEBI:63567)
candidoside (CHEBI:69609) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(3β,16α)-16,28-dihydroxyolean-12-en-3-yl β-D-glucopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside
Registry Number Type Source
11116361 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21928797 PubMed citation Europe PMC
327739 Chinese Abstracts citation Europe PMC
Last Modified
20 January 2014