3-((6-Deoxy-2-O-(6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Grundinformationen
- CAS
143016-73-3- Standard-SMILES
C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O- InChIKey
SHRUKDVTMUBNTL-XJRUTDMXSA-N- Summenformel
- C42H46O23
- Durchschnittliche Molmasse
- 918,8 g/mol
- Monoisotopische Masse
- 918,24298771
Überblick
Quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside is a quercetin O-glucoside that consists of quercetin attached to a beta-D-glucopyranosyl moiety at position 7 and a alpha-L-6'''-p-coumaroyl-beta-D-glucopyranosyl-(12)-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from the leaves of Ginkgo biloba, it exhibits antioxidant activity. It has a role as an antioxidant and a metabolite. It is a cinnamate ester and a quercetin O-glucoside. It is functionally related to a trans-4-coumaric acid.
Namen und Bezeichner
- Bevorzugter Name
- 3-((6-Deoxy-2-O-(6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
- IUPAC
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- Englischer Name
- 4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-
- Summenformel
- C42H46O23
- Molmasse
- 918.8
Namen und Synonyme
143016-73-3DTXSID0010984863-[[6-Deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one3-((6-Deoxy-2-O-(6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-oneRefChem:1066312DTXCID101530227Antioxidant agent-18quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate3-[(6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosideorb1941744Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside-7-glucoside
Weitere Namen anzeigen
Quercetin 3-O-6'''-O-(E)-coumaroyl-β-D-glucopyranosyl-（1→2）-α-L-rhamnosyl-7-O- β-D-glucopyranosideQuercetin 3-O-6'''-O-(E)-coumaroyl-β-D-glucopyranosyl-（1→2）-α-L-rhamnosyl-7-O- β-D-glucopyranoside3-[[6-Deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-
CHEBI:66286HY-N12443LMPK12112223TN8581DA-50579CS-0906883H50752T83026
Datenbank-Bezeichner
- CAS
143016-73-3- PubChem CID
- 10191345
- DTXSID
DTXSID001098486- ChEBI
CHEBI:66286- Nikkaji
- J1.816.760C、J2.311.945E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 371 Ų
- H-Brücken-Donoren
- 13
- H-Brücken-Akzeptoren
- 23
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 65
- Formalladung
- 0
- Komplexität
- 1.670
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physikochemische Eigenschaften
- Siedepunkt
- 1240.6 · 1240.6±65.0 °C(Predicted)
- Dichte
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 5.77 · 5.77±0.40(Predicted)
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