CHEBI:69508 - rubiarboside G 28-acetate

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ChEBI Name rubiarboside G 28-acetate
ChEBI ID CHEBI:69508
Definition A triterpenoid saponin with an arborinane-type terpenoid as the aglycone. It has been isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H72O15
Net Charge 0
Average Mass 841.03350
Monoisotopic Mass 840.48712
InChI InChI=1S/C44H72O15/c1-20(2)23-15-25(48)37-43(8)12-9-22-30(42(43,7)13-14-44(23,37)19-56-21(3)46)24(47)16-28-40(4,5)29(10-11-41(22,28)6)59-39-36(54)34(52)32(50)27(58-39)18-55-38-35(53)33(51)31(49)26(17-45)57-38/h9,20,23-39,45,47-54H,10-19H2,1-8H3/t23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,41+,42-,43+,44+/m0/s1
InChIKey IWIDIYBHYIVHDJ-CDWPMCCOSA-N
SMILES CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. 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 )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rubiarboside G 28-acetate (CHEBI:69508) has role antineoplastic agent (CHEBI:35610)
rubiarboside G 28-acetate (CHEBI:69508) has role plant metabolite (CHEBI:76924)
rubiarboside G 28-acetate (CHEBI:69508) is a β-D-glucoside (CHEBI:22798)
rubiarboside G 28-acetate (CHEBI:69508) is a acetate ester (CHEBI:47622)
rubiarboside G 28-acetate (CHEBI:69508) is a diol (CHEBI:23824)
rubiarboside G 28-acetate (CHEBI:69508) is a disaccharide derivative (CHEBI:63353)
rubiarboside G 28-acetate (CHEBI:69508) is a pentacyclic triterpenoid (CHEBI:25872)
rubiarboside G 28-acetate (CHEBI:69508) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
[(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-9-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-1,6-dihydroxy-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate
Synonym Source
28-acetoxy-3β,7β,19α-trihydroxyarbor- 9(11)-en-3-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside ChEBI
Registry Number Type Source
22020826 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21973054 PubMed citation Europe PMC
Last Modified
20 January 2014