CHEBI:69511 - rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside

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ChEBI Name rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
ChEBI ID CHEBI:69511
ChEBI ASCII Name rubiarbonol A 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside
Definition A triterpenoid saponin with rubiarbonol A 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 C42H70O14
Net Charge 0
Average Mass 798.99680
Monoisotopic Mass 798.47656
InChI InChI=1S/C42H70O14/c1-19(2)21-14-23(47)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-45)22(46)15-26-38(3,4)27(9-10-39(20,26)5)55-37-34(32(51)30(49)25(17-44)54-37)56-36-33(52)31(50)29(48)24(16-43)53-36/h8,19,21-37,43-52H,9-18H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,39+,40-,41+,42+/m0/s1
InChIKey DXTJWFNCSOUXFE-FFZXTACGSA-N
SMILES CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)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](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69511) has functional parent rubiarbonol A (CHEBI:69523)
rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69511) has role plant metabolite (CHEBI:76924)
rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69511) is a β-D-glucoside (CHEBI:22798)
rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69511) is a disaccharide derivative (CHEBI:63353)
rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69511) is a pentacyclic triterpenoid (CHEBI:25872)
rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69511) is a triol (CHEBI:27136)
rubiarbonol A 3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69511) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-1,6-dihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonym Source
3β,7β,19α,28-tetrahydroxyarbor-9(11)-en-3-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside ChEBI
Registry Number Type Source
22020825 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014