CHEBI:66790 - Pulsatilla saponin D

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ChEBI Name Pulsatilla saponin D
ChEBI ID CHEBI:66790
Definition A natural product found particularly in Pulsatilla chinensis and Pulsatilla cernua.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C47H76O17
Net Charge 0
Average Mass 913.09610
Monoisotopic Mass 912.50825
InChI InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
InChIKey SOLICHUQXFAOEP-YDIXZRNLSA-N
SMILES [H][C@@]1(CO[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Pulsatilla cernua (NCBI:txid231674) See: DOI
Pulsatilla koreana (NCBI:txid387930) Found in root (BTO:0001188). See: PubMed
Pulsatilla chinensis (NCBI:txid714493) Found in root (BTO:0001188). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Pulsatilla saponin D (CHEBI:66790) has role metabolite (CHEBI:25212)
Pulsatilla saponin D (CHEBI:66790) is a triterpenoid (CHEBI:36615)
Synonym Source
Hederagenin 3-O-alpha-L-rhamnopyranosyl(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranoside ChEBI
Citations Waiting for Citations Types Sources
10514313 PubMed citation Europe PMC
15473660 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oligosaccharide(CHEBI:50699); ISA:steroid(CHEBI:35341); ISA:glycoside(CHEBI:24400); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);