Quercetin 3-O-Sambubioside

HCID 5487635

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Basic information

CAS: 83048-35-5
Standard SMILES: O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIKey: NKFZLEYLWAFYEH-CJNLAGEVSA-N
Molecular formula: C26H28O16
Average molar mass: 596.5 g/mol
Monoisotopic mass: 596.13773482

Overview

Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside] is a quercetin O-glucoside that is quercetin attached to a beta-D-sambubiosyl residue at position 3 via a glycosidc linkage. It has a role as an antioxidant and a plant metabolite. It is a tetrahydroxyflavone, a disaccharide derivative and a quercetin O-glucoside.

Names & identifiers

Preferred name: Quercetin 3-O-Sambubioside
IUPAC: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
English name: quercetin 3-sambubioside
Molecular formula: C26H28O16
Molecular weight: 596.49

Names & synonyms

Quercetin 3-O-SambubiosideQuercetin 3-sambubioside83048-35-53-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-oneQuercetin 3-O-beta-xylopyranosyl-(1-2)-O-beta-glucopyranosideDTXSID402321414H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-3-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one3-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-oneRefChem:930457DTXCID40154632

Show more names

Quercetin-3-O-sambubosideQuercetin-3-O-β-D-ribosyl-(1→2)-β-D-glucoside3,,4,,5,7-tetrahydroxyflavonol 3-O-β-D-glucopyranosyl (2->1) O-β-D-xylopyranoside4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-

CHEMBL455758Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]C12637AC1NUPP6quercetin-3-sambubiosidequercetin-3-O-sambubiosideorb1684137SCHEMBL29897609

Database identifiers

CAS: 83048-35-5
PubChem CID: 5487635
DTXSID: DTXSID40232141
ChEMBL: CHEMBL455758
ChEBI: CHEBI:32081
Nikkaji: J460.249H

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 266 Å²
Hydrogen bond donors: 10
Hydrogen bond acceptors: 16
Rotatable bonds: 6
Heavy atoms: 42
Formal charge: 0
Complexity: 993

Experimental & physicochemical properties

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Physicochemical properties

Boiling point: 999 · 999.0±65.0 °C(Predicted)
Density: 1.87 · 1.87±0.1 g/cm3(Predicted)
pka: 6.17 · 6.17±0.40(Predicted)
form: Solid
color: White to off-white

Chemistry & industry

Applications

UsesQuercetin-3-O-sambubioside is a monomeric compound found in Eucommia ulmoides male flowers. Quercetin-3-O-sambubioside promotes the stimulation of the nerve center. Antioxidant and anticancer activities[1][2].

Suppliers47 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

成都曼思特生物科技有限公司18010516991 · [email protected]

南京普怡生物科技有限公司13814510036 · [email protected]

Additional notes

DefinitionChEBI: A quercetin O-glucoside that is quercetin attached to a beta-D-sambubiosyl residue at position 3 via a glycosidc linkage.

Related reactions

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Compound notes

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