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CHEBI:66466 - E-senegasaponin b

ChEBI IDCHEBI:66466
ChEBI NameE-senegasaponin b
Stars
ASCII NameE-senegasaponin b
DefinitionThe E-isomer of senegasaponin b.
Last Modified2 July 2013
DownloadsMolfile
FormulaC69H102O31
Net Charge0
Average Mass1427.544
Monoisotopic Mass1426.64051
SMILES[H][C@@]1(O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)C[C@H](O)[C@H](O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@]6([H])CC[C@@]5(C)[C@]3(CO)CC4)O[C@H](C)[C@H](OC(=O)/C=C/c3ccc(OC)cc3)[C@@H]2O)O[C@@H](C)[C@H](O[C@]2([H])OC[C@@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C69H102O31/c1-29-53(97-57-48(81)44(77)38(27-90-57)95-59-49(82)45(78)42(75)36(25-70)93-59)47(80)51(84)58(91-29)98-55-52(85)54(96-41(74)16-11-31-9-12-32(89-8)13-10-31)30(2)92-61(55)100-63(88)68-20-19-64(3,4)23-34(68)33-14-15-39-65(5)24-35(73)56(99-60-50(83)46(79)43(76)37(26-71)94-60)67(7,62(86)87)40(65)17-18-66(39,6)69(33,28-72)22-21-68/h9-14,16,29-30,34-40,42-61,70-73,75-85H,15,17-28H2,1-8H3,(H,86,87)/b16-11+/t29-,30+,34-,35-,36+,37+,38+,39+,40+,42-,43+,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,65+,66+,67-,68-,69-/m0/s1
InChIKeyFVWWKTQCICTOAX-QQJABJKRSA-N
Species of MetaboliteComponentSourceComments
Polygala senega var. latifolia (IPNI:205849-2) root (BTO:0001188) PubMed (8582013)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
hypoglycemic agent  A drug which lowers the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
E-senegasaponin b (CHEBI:66466) is a senegasaponin b (CHEBI:74448)
IUPAC Name 
β-D-galactopyranosyl-(1→4)-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-1-O-[(2β,3β)-3-(β-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-4-O-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-β-D-galactopyranose
Synonym  Source
3-O-β-D-glucopyranosylpresenegenin-28-O-[β-D-galactopyranosyl(1→4)-β-D-xylopyranosyl(1→4)-α-L-rhamnopyranosyl(1→2)][4-O-(E)-4''-methoxycinnamoyl]-β-D-fucopyranosideChEBI
Registry NumbersSources
Reaxys:7333674Reaxys
Citations