Quercetin 3,4'-diglucoside

Quercetin 3,4'-diglucoside
Names
	IUPAC name 3,4′-Bis(β-D-glucopyranosyloxy)-3′,5,7-trihydroxyflavone
	Systematic IUPAC name 5,7-Dihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-1-benzopyran-4-one
	Other names Quercetin 3,4’-di-O-β-glucopyranoside; Quercetin-3,4'-O-di-beta-glucopyranoside
Identifiers
CAS Number	29125-80-2;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:131498 ;
ChemSpider	4478806;
PubChem CID	5320835;
CompTox Dashboard (EPA)	DTXSID301045305 ;
	InChI InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 Key: RPVIQWDFJPYNJM-DEFKTLOSSA-N;
	SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O;
Properties
Chemical formula	C27H30O17
Molar mass	626.520 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Quercetin 3,4'-diglucoside is a flavonol glycoside found in onions (Allium cepa)^[1]^[2] and in horse chestnut seeds (Aesculus hippocastanum).^[3]

References

^ Williamson, Gary; Plumb, Geoff W.; Uda, Yasushi; Price, Keith R.; Rhodes, Michael J.C. (1996). "Dietary quercetin glycosides: Antioxidant activity and induction of the anticarcinogenic phase II marker enzyme quinone reductase in Hepalclc7 cells". Carcinogenesis. 17 (11): 2385–7. doi:10.1093/carcin/17.11.2385. PMID 8968052.
^ Olsson, Marie E.; Gustavsson, Karl-Erik; Vågen, Ingunn M. (2010). "Quercetin and Isorhamnetin in Sweet and Red Cultivars of Onion (Allium cepaL.) at Harvest, after Field Curing, Heat Treatment, and Storage". Journal of Agricultural and Food Chemistry. 58 (4): 2323–30. doi:10.1021/jf9027014. PMID 20099844.
^ Wagner, J. (1961). "Quercetin-3,4′-diglukosid, ein Flavonolglykosid des Roßkastaniensamens". Die Naturwissenschaften. 48 (2): 54. Bibcode:1961NW.....48Q..54W. doi:10.1007/BF00603428. S2CID 29060667.

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Names

IUPAC name 3,4′-Bis(β-D-glucopyranosyloxy)-3′,5,7-trihydroxyflavone
Systematic IUPAC name 5,7-Dihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-1-benzopyran-4-one
Other names Quercetin 3,4’-di-O-β-glucopyranoside Quercetin-3,4'-O-di-beta-glucopyranoside
Identifiers
CAS Number	29125-80-2
3D model (JSmol)	Interactive image
ChEBI	CHEBI:131498^Y
ChemSpider	4478806
PubChem CID	5320835
CompTox Dashboard (EPA)	DTXSID301045305
InChI InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 Key: RPVIQWDFJPYNJM-DEFKTLOSSA-N
SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
Properties
Chemical formula	C₂₇H₃₀O₁₇
Molar mass	626.520 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references