CHEBI:70436 - platycodin D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name platycodin D
ChEBI ID CHEBI:70436
Definition A natural product found in Platycodon grandiflorum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C57H92O28
Net Charge 0
Average Mass 1225.32360
Monoisotopic Mass 1224.57751
InChI InChI=1S/C57H92O28/c1-23-40(81-45-39(72)41(28(64)18-76-45)82-49-43(73)56(75,21-61)22-78-49)36(69)38(71)46(79-23)83-42-33(66)27(63)17-77-48(42)85-50(74)57-12-11-51(2,3)13-25(57)24-7-8-30-52(4)14-26(62)44(84-47-37(70)35(68)34(67)29(16-58)80-47)55(19-59,20-60)31(52)9-10-53(30,5)54(24,6)15-32(57)65/h7,23,25-49,58-73,75H,8-22H2,1-6H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,52+,53+,54+,56+,57+/m0/s1
InChIKey CYBWUNOAQPMRBA-NDTOZIJESA-N
SMILES [H][C@]1(O[C@@H](C)[C@]([H])(O[C@@H]2OC[C@@H](O)[C@]([H])(O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@@]4(C)C[C@H](O)[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(CO)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O
Metabolite of Species Details
Platycodon grandiflorum (NCBI:txid94286) Found in root (BTO:0001188). Dried roots were extracted with MeOH by percolation 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 platycodin D (CHEBI:70436) has role metabolite (CHEBI:25212)
platycodin D (CHEBI:70436) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-D-apio-beta-D-furanosyl-(1->3)-O-beta-D-xylopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-L-arabinopyranosyl ester, (2beta,3beta,16alpha)- ChEBI
Manual Xref Database
C17410 KEGG COMPOUND
View more database links
Registry Number Type Source
58479-68-8 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20939516 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:oligosaccharide(CHEBI:50699); ISA:12alpha-hydroxy steroid(CHEBI:36846); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:fatty acid derivative(CHEBI:61697); ISA:glycoside(CHEBI:24400); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:oxanes(CHEBI:46942); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);