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CHEBI:5634 - hederagenin 3-O-arabinoside

ChEBI IDCHEBI:5634
ChEBI Namehederagenin 3-O-arabinoside
Stars
ASCII Namehederagenin 3-O-arabinoside
DefinitionA triterpenoid saponin that is hederagenin attached to an α-L-arabinopyranosyl residue at position 3 via a glycosidic linkage.
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H56O8
Net Charge0
Average Mass604.825
Monoisotopic Mass604.39752
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CO
InChIInChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1
InChIKeyQUBNLZCADIYAFW-RITZIESXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
hederagenin 3-O-arabinoside (CHEBI:5634) has functional parent hederagenin (CHEBI:69579)
hederagenin 3-O-arabinoside (CHEBI:5634) has parent hydride oleanane (CHEBI:36481)
hederagenin 3-O-arabinoside (CHEBI:5634) has role plant metabolite (CHEBI:76924)
hederagenin 3-O-arabinoside (CHEBI:5634) is a hydroxy monocarboxylic acid (CHEBI:35868)
hederagenin 3-O-arabinoside (CHEBI:5634) is a monosaccharide derivative (CHEBI:63367)
hederagenin 3-O-arabinoside (CHEBI:5634) is a pentacyclic triterpenoid (CHEBI:25872)
hederagenin 3-O-arabinoside (CHEBI:5634) is a triterpenoid saponin (CHEBI:61778)
hederagenin 3-O-arabinoside (CHEBI:5634) is a α-L-arabinopyranoside (CHEBI:37782)
IUPAC Name 
3β-(α-L-arabinopyranosyloxy)-23-hydroxyolean-12-en-28-oic acid
Synonyms  Source
Cauloside AKEGG COMPOUND
3β-O-α-L-arabinopyranosyl hederageninChEBI
Leontoside AChemIDplus
Manual XrefsDatabases
C08953KEGG COMPOUND
C00003527KNApSAcK
Registry NumbersSources
Reaxys:4241078Reaxys
CAS:17184-21-3KEGG COMPOUND
CAS:17184-21-3ChemIDplus
Citations