CHEBI:65657 - convallasaponin A

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ChEBI Name convallasaponin A
ChEBI ID CHEBI:65657
Definition A steroid saponin that consists of (1β,3β,5β,25S)-spirostan-1,3,17-triol attached to a β-D-glucopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-6-deoxy-β-D-glucopyranosyl moiety at position 1 via a glycosidic linkage. It is isolated from the rhizomes of Convallaria majalis and exhibits significant cytotoxicity against human submandibular gland carcinoma (HSG) cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H72O18
Net Charge 0
Average Mass 889.03170
Monoisotopic Mass 888.47187
InChI InChI=1S/C44H72O18/c1-18-8-11-43(56-16-18)20(3)44(54)29(62-43)14-25-23-7-6-21-12-22(46)13-28(42(21,5)24(23)9-10-41(25,44)4)59-40-37(61-39-35(53)33(51)32(50)27(15-45)58-39)36(30(48)19(2)57-40)60-38-34(52)31(49)26(47)17-55-38/h18-40,45-54H,6-17H2,1-5H3/t18-,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,42-,43+,44+/m0/s1
InChIKey KWCRIRHVZGFNHK-GMVTXMJESA-N
SMILES [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](C)O[C@@]([H])(O[C@@H]2C[C@H](O)C[C@@]3([H])CC[C@]4([H])[C@]([H])(CC[C@@]5(C)[C@@]4([H])C[C@]4([H])O[C@]6(CC[C@H](C)CO6)[C@@H](C)[C@]54O)[C@@]23C)[C@@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Convallaria majalis (NCBI:txid32189) Found in rhizome (BTO:0001181). See: PubMed
Roles Classification
Biological Role(s): 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 convallasaponin A (CHEBI:65657) has parent hydride (25S)-5β-spirostan (CHEBI:35537)
convallasaponin A (CHEBI:65657) has role metabolite (CHEBI:25212)
convallasaponin A (CHEBI:65657) is a 17α-hydroxy steroid (CHEBI:35342)
convallasaponin A (CHEBI:65657) is a 3β-hydroxy steroid (CHEBI:36836)
convallasaponin A (CHEBI:65657) is a steroid saponin (CHEBI:61655)
convallasaponin A (CHEBI:65657) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name
(1β,3β,5β,25S)-3,17-dihydroxyspirostan-1-yl β-D-glucopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-6-deoxy-β-D-glucopyranoside
Synonym Source
(25S)-3β,17α-dihydroxy-5β-spiorstan-1β-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-β-D-quinovopyranoside ChEBI
Registry Number Type Source
10758524 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17268112 PubMed citation Europe PMC
Last Modified
12 April 2013