19alpha-hydroxyasiatic acid-28-O-beta-D-glucopyrannoside (CHEBI:67917)

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CHEBI:67917 - 19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside

ChEBI ID	CHEBI:67917
ChEBI Name	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside
Stars
ASCII Name	19alpha-hydroxyasiatic acid-28-O-beta-D-glucopyrannoside
Definition	A triterpenoid saponin that is 19α-hydroxyasiatic acid attached to a β-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the leaves of Rosa laevigata.
Last Modified	27 May 2015
Downloads	Molfile

Formula	C36H58O11
Net Charge	0
Average Mass	666.849
Monoisotopic Mass	666.39791
SMILES	[H][C@]12CC=C3[C@@]4([H])[C@](C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@H](C)[C@@]4(C)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@@H](O)[C@H](O)[C@@]1(C)CO
InChI	InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1
InChIKey	WKKBYJLXSKPKSC-JVJIQXRHSA-N

Species of Metabolite	Component	Source	Comments
Rosa laevigata (ncbitaxon:74652)	leaf (BTO:0000713)	PubMed (21384845)	70% EtOH extract of dried leaves

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)
	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside (CHEBI:67917) has functional parent 19α-hydroxyasiatic acid (CHEBI:67915)
	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside (CHEBI:67917) has parent hydride ursane (CHEBI:35711)
	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside (CHEBI:67917) has role plant metabolite (CHEBI:76924)
	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside (CHEBI:67917) is a monosaccharide derivative (CHEBI:63367)
	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside (CHEBI:67917) is a pentacyclic triterpenoid (CHEBI:25872)
	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside (CHEBI:67917) is a tetrol (CHEBI:33573)
	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside (CHEBI:67917) is a triterpenoid saponin (CHEBI:61778)
	19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside (CHEBI:67917) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
1-O-[(2α,3β)-2,3,19,23-tetrahydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose

Synonym	Source
nigaichigoside F₁	ChEBI

Registry Numbers	Sources
Reaxys:5370152	Reaxys

Citations