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

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ChEBI Name 19α-hydroxyasiatic acid-28-O-β-D-glucopyrannoside
ChEBI ID CHEBI:67917
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H58O11
Net Charge 0
Average Mass 666.83910
Monoisotopic Mass 666.39791
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
SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Rosa laevigata (NCBI:txid74652) Found in leaf (BTO:0000713). 70% EtOH extract of dried leaves 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 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 β-D-glucoside (CHEBI:22798)
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)
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 Number Type Source
5370152 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21384845 PubMed citation Europe PMC
Last Modified
27 May 2015