Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
Grundinformationen
- CAS
202338-79-2- Standard-SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
YTMOEUVNNYCFEO-WYHZMSGGSA-O- Summenformel
- C33H41O19+
- Durchschnittliche Molmasse
- 741,7 g/mol
- Monoisotopische Masse
- 741,22420407
Überblick
Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside is an anthocyanin cation consisting of pelargonidin having a rutinosyl [6-deoxy-alpha-L-mannosyl-(16)-beta-D-glucosyl] residue attached at the 3-hydroxy position and a beta-D-glucosyl residue at the 5-hydroxy position. It is a beta-D-glucoside, a rutinoside, an anthocyanin cation and a disaccharide derivative. It is a conjugate acid of a pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside betaine.
Namen und Bezeichner
- Bevorzugter Name
- Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
- IUPAC
- (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
- Englischer Name
- pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
- Summenformel
- C33H41O19+
- Molmasse
- 741.66724
Namen und Synonyme
Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside202338-79-2Pelargonidin 3-rutinoside-5-glucopyranoside(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triolPelargonidin 3-rutinoside-5-glucosideSCHEMBL41939124CHEBI:31969DTXSID90332140LMPK12010027Q271147412-(4-Hydroxyphenyl)-3-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5-[(beta-D-glucopyranosyl)oxy]-7-hydroxy-1-benzopyrylium5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Weitere Namen anzeigen
5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 299 Ų
- H-Brücken-Donoren
- 12
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 52
- Formalladung
- 1
- Komplexität
- 1.130
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
Chemie und Industrie
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