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CHEBI:77155 - gypenoside XVII

ChEBI IDCHEBI:77155
ChEBI Namegypenoside XVII
Stars
DefinitionA ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3β, 12β and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding β-D-glucopyranoside and β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position.
Last Modified11 February 2014
SubmitterKAX
DownloadsMolfile
FormulaC48H82O18
Net Charge0
Average Mass947.166
Monoisotopic Mass946.55012
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1
InChIKeyZRBFCAALKKNCJG-SJYBZOGZSA-N
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)
gypenoside XVII (CHEBI:77155) has parent hydride dammarane (CHEBI:36488)
gypenoside XVII (CHEBI:77155) has role plant metabolite (CHEBI:76924)
gypenoside XVII (CHEBI:77155) is a 12β-hydroxy steroid (CHEBI:36847)
gypenoside XVII (CHEBI:77155) is a disaccharide derivative (CHEBI:63353)
gypenoside XVII (CHEBI:77155) is a ginsenoside (CHEBI:74978)
gypenoside XVII (CHEBI:77155) is a tetracyclic triterpenoid (CHEBI:26893)
gypenoside XVII (CHEBI:77155) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(3β,12β)-20-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl β-D-glucopyranoside
Manual XrefsDatabases
CPD-12099MetaCyc
Registry NumbersSources
Reaxys:5723307Reaxys
Citations