rebaudioside D (CHEBI:145022)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145022 - rebaudioside D

Take structure to advanced search

ChEBI ID	CHEBI:145022
ChEBI Name	rebaudioside D
Stars
Definition	A rebaudioside that is rebaudioside A in which the hydroxy group at position 2 of the β-D-glucosyl ester moiety has been converted to the corresponding β-D-glucoside. Found in minute quantities in the leaves of Stevia rebaudiana.
Last Modified	6 March 2024
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C50H80O28
Net Charge	0
Average Mass	1129.162
Monoisotopic Mass	1128.48361
SMILES	[H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4
InChI	InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,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+,45+,47-,48-,49-,50+/m1/s1
InChIKey	RPYRMTHVSUWHSV-CUZJHZIBSA-N

Roles Classification

Biological Roles:	sweetening agent Substance that sweeten food, beverages, medications, etc. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. sweetening agent Substance that sweeten food, beverages, medications, etc. sweetening agent Substance that sweeten food, beverages, medications, etc.
Applications:	sweetening agent Substance that sweeten food, beverages, medications, etc. sweetening agent Substance that sweeten food, beverages, medications, etc. sweetening agent Substance that sweeten food, beverages, medications, etc.

ChEBI Ontology

Outgoing Relation(s)
	rebaudioside D (CHEBI:145022) has functional parent rebaudioside A (CHEBI:145012)
	rebaudioside D (CHEBI:145022) has functional parent rebaudioside E (CHEBI:145018)
	rebaudioside D (CHEBI:145022) has functional parent β-D-Glcp-(1→2)-[β-D-Glcp-(1→3)]-β-D-Glcp (CHEBI:146806)
	rebaudioside D (CHEBI:145022) has role sweetening agent (CHEBI:50505)
	rebaudioside D (CHEBI:145022) is a rebaudioside (CHEBI:145023)
	rebaudioside D (CHEBI:145022) is a sophoroside (CHEBI:145470)
Incoming Relation(s)
Incoming Relation(s)	rebaudioside M (CHEBI:145019) has functional parent rebaudioside D (CHEBI:145022)

IUPAC Name
2-O-β-D-glucopyranosyl-1-O-(13α-{[β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl]oxy}-18-oxo-5β,8α,9β,10α-kaur-16-en-18-yl)-β-D-glucopyranose

Synonyms	Source
(-)-rebaudioside D	ChemIDplus
Reb D	ChEBI
Reb-D	ChEBI
rebaudioside-D	ChEBI

UniProt Name	Source
rebaudioside D	UniProt

Manual Xrefs	Databases
WO2010146463	Patent
US2010316782	Patent
WO2011056834	Patent
US2011104353	Patent
C00036203	KNApSAcK
HMDB0034948	HMDB
FDB013541	FooDB

Registry Numbers	Sources
CAS:63279-13-0	ChemIDplus

Citations