rubiarboside G 28-al (CHEBI:69510)

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CHEBI:69510 - rubiarboside G 28-al

ChEBI ID	CHEBI:69510
ChEBI Name	rubiarboside G 28-al
Stars
Definition	A triterpenoid saponin with an arborinane-type terpenoid as the aglycone. It has been isolated from the roots of Rubia yunnanensis.
Last Modified	20 January 2014
Downloads	Molfile

Formula	C42H68O14
Net Charge	0
Average Mass	796.992
Monoisotopic Mass	796.46091
SMILES	[H][C@@]1(O[C@H]2CC[C@]3(C)C4=CC[C@@]5(C)[C@@](C)(CC[C@@]6(C=O)[C@H](C(C)C)C[C@@H](O)[C@]56[H])[C@]4([H])[C@@H](O)C[C@@]3([H])C2(C)C)O[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
InChI	InChI=1S/C42H68O14/c1-19(2)21-14-23(46)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-44)22(45)15-26-38(3,4)27(9-10-39(20,26)5)56-37-34(52)32(50)30(48)25(55-37)17-53-36-33(51)31(49)29(47)24(16-43)54-36/h8,18-19,21-37,43,45-52H,9-17H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,39+,40-,41+,42+/m0/s1
InChIKey	LILZAHFTZBUNDM-REZAIECBSA-N

Species of Metabolite	Component	Source	Comments
Rubia yunnanensis (IPNI:765385-1)	root (BTO:0001188)	PubMed (21973054)	Methanolic extract of air dried powdered roots.

Roles Classification

Biological Roles:

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.

ChEBI Ontology

Outgoing Relation(s)
	rubiarboside G 28-al (CHEBI:69510) has role plant metabolite (CHEBI:76924)
	rubiarboside G 28-al (CHEBI:69510) is a aldehyde (CHEBI:17478)
	rubiarboside G 28-al (CHEBI:69510) is a diol (CHEBI:23824)
	rubiarboside G 28-al (CHEBI:69510) is a disaccharide derivative (CHEBI:63353)
	rubiarboside G 28-al (CHEBI:69510) is a pentacyclic triterpenoid (CHEBI:25872)
	rubiarboside G 28-al (CHEBI:69510) is a triterpenoid saponin (CHEBI:61778)
	rubiarboside G 28-al (CHEBI:69510) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-3a-formyl-1,6-dihydroxy-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 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

Synonym	Source
28β-formyl-3β,7β,19α-trihydroxyarbor-9(11)-en-3-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:22020824	Reaxys

Citations