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18609-17-1

18609-17-1 Structure

18609-17-1 Structure
IdentificationBack Directory
[Name]

quercetin-3-O-sophoroside
[CAS]

18609-17-1
[Synonyms]

BaiMaside
1)-beta-D-glucoside
quercetin-3-O-sophoroside
Quercetin 3-beta-sophoroside
Quercetin 3-beta-D-sophoroside
Quercetin-3-O-beta-D-glucosyl-(2→
quercetin3-O-β-D-glucosyl-(1→2)-β-D-glucoside
quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside
Quercetin-3-O-beta-D-glucosyl-(2-1)-beta-D-glucoside
quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-[(2-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-5,7-dihydroxy-
[EINECS(EC#)]

300-008-7
[Molecular Formula]

C27H30O17
[MDL Number]

MFCD02259431
[MOL File]

18609-17-1.mol
[Molecular Weight]

626.52
Chemical PropertiesBack Directory
[Melting point ]

198-200℃
[Boiling point ]

1037.2±65.0 °C(Predicted)
[density ]

1.89±0.1 g/cm3(Predicted)
[solubility ]

Soluble in methanol;
[form ]

powder
[pka]

6.17±0.40(Predicted)
[color ]

Yellowish
[Water Solubility ]

slightly soluble in water
[Stability:]

Hygroscopic
[Major Application]

food and beverages
[InChIKey]

RDUAJIJVNHKTQC-UWOMCWDXNA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO)Oc3[c](c4c([o]c3c5cc(c(cc5)O)O)cc(cc4O)O)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Quercetin 3-O-sophoroside is a flavonoid glycoside that has been found in B. napus (rapeseed) and has antioxidant activity. Quercetin 3-O-sophoroside has a relative antioxidant capacity of 1.45 compared to Trolox (Item No. 10011659) in an ABTS (Item No. 27317) assay. It also inhibits lipid peroxidation in a cell-free assay using phospholipid liposomes with an IC50 value of 9.2 μM.
[Chemical Properties]

White crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from A. venetum L.
[Uses]

Quercetin-3-O-Sophoroside is an Ipomoea aquatica composite compound which displays antioxidant activity and is used in food chemistry. It is a flavonoid used in traditional Chinese medicine as well.
[Definition]

ChEBI: A quercetin O-glucoside that is quercetin attached to a beta-D-sophorosyl residue at position 3 via a glycosidic linkage.
[References]

[1] FEDERICO FERRERES. Tomato (Lycopersicon esculentum) Seeds: New Flavonols and Cytotoxic Effect[J]. Journal of Agricultural and Food Chemistry, 2010, 58 5: 2854-2861. DOI: 10.1021/jf904015f
[2] YUE WANG. Correlation Analysis of Phenolic Contents and Antioxidation in Yellow- and Black-Seeded Brassica napus.[J]. Molecules, 2018, 23 7. DOI: 10.3390/molecules23071815
[3] G W PLUMB. Antioxidant properties of the major polyphenolic compounds in broccoli.[J]. Free Radical Research, 1997, 27 4: 429-435. DOI: 10.3109/10715769709065782
Spectrum DetailBack Directory
[Spectrum Detail]

quercetin-3-O-sophoroside(18609-17-1)1HNMR
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