Pelargonidin 3-O-glucoside
Grundinformationen
- CAS
47684-27-5- Standard-SMILES
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
ABVCUBUIXWJYSE-GQUPQBGVSA-O- Summenformel
- C21H21O10+
- Durchschnittliche Molmasse
- 433,4 g/mol
- Monoisotopische Masse
- 433,11347186
Überblick
Pelargonidin 3-O-beta-D-glucoside is an anthocyanin cation consisting of pelargonidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. It has a role as a plant metabolite. It is a beta-D-glucoside and an anthocyanidin glycoside. It is functionally related to a pelargonidin. It is a conjugate acid of a pelargonidin 3-O-beta-D-glucoside betaine.
Namen und Bezeichner
- Bevorzugter Name
- Pelargonidin 3-O-glucoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Namen und Synonyme
Pelargonidin 3-O-glucosidePelargonidin 3-glucoside ionPelargonidin 3-glucoside cationW623YHH61A47684-27-5Pelargonidin 3-o-beta-glucopyranosideDTXSID2013360821-Benzopyrylium, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-RefChem:1094426DTXCID601368352UNII-W623YHH61ACallistephin
Weitere Namen anzeigen
pelargonidin 3-O-beta-D-glucosidepelargonidin-3-O-glucoside3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloridePelargonidin 3-O-glucoside (chloride)pelagonidin-glucosidepelargonidin-glucoside
Datenbank-Bezeichner
- CAS
47684-27-5- PubChem CID
- 443648
- DTXSID
DTXSID201336082- ChEBI
CHEBI:31967- UNII
- W623YHH61A
- Nikkaji
- J237.946E
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 161 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 31
- Formalladung
- 1
- Komplexität
- 585
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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