Quercetin-7,4'-diglucoside

CAT: 0926-FQ137851Size: 0.25 mgDry Ice: NoHazardous: No

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CAT#:0926-FQ137851Size:0.25 mg

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CAS Number

42900-82-3

Smiles

C1=CC (=C (C=C1C2=C (C (=O) C3=C (C=C (C=C3O2) O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) CO) O) O) O) O) O) O) O[C@H]5[C@@H] ([C@H] ([C@@H] ([C@H] (O5) CO) O) O) O

Molecular Formula

C27H30O17

Molecular Weight

626.52 g/mol

Controlled

Chemical Information

Quercetin 7,4'-diglucoside

Quercetin 7,4'-di-O-beta-D-glucoside is a quercetin O-glucoside that is quercetin with two beta-D-glucosyl residues attached at positions 7 and 4'. It has a role as a plant metabolite. It is a beta-D-glucoside, a polyphenol, a trihydroxyflavone, a member of flavonols, a monosaccharide derivative and a quercetin O-glucoside.

CAS Number	42900-82-3
PubChem CID	11968881
IUPAC Name	3,5-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Formula	C27H30O17
Molecular Weight	626.5
XLogP	-1.4
Topological Polar Surface Area	286
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	7
Heavy Atom Count	44
Formal Charge	0
Complexity	1040

SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

InChI

InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2/t14-,15-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1

InChIKey

QZXHFNCQMMUANB-UINLEYECSA-N

Chemical Structure

2D Structure

CAS: 42900-82-3

CID: 11968881

Formula: C27H30O17

MW: 626.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	626.5
XLogP3	-1.4
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	7
Exact Mass	626.14829948
Monoisotopic Mass	626.14829948
Topological Polar Surface Area	286 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TN8847-01	Quercetin 7,4'-O-diglucoside
GTR19237019-01	Quercetin 3,7-diglucoside
AB3445	Quercetin 3,4'-diglucoside
HY-N8685	Quercetin 3,4′-diglucoside
M32113-01	Quercetin 3,4-diglucoside
AB3515	Quercetin 3,7-O-β-D-diglucoside
GTR19233216	Quercetin 3,5-O-diglucoside
GTR19181754	Daidzein-4',7-diglucoside
GTR19236892-01	Apigenin 7,4-diglucoside
GTR19269411	Apigenin 7,4'-diglucoside

Quercetin-7,4'-diglucoside

Chemical Information

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