3-((6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

HCID 5489470

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Basic information

CAS: 142451-65-8
Standard SMILES: C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIKey: BCNBWICEIXAVQF-DLVIKRKZSA-N
Molecular formula: C27H30O15
Average molar mass: 594.5 g/mol
Monoisotopic mass: 594.15847025

Overview

Kaempferol-3-O-glucosyl(1-2)rhamnoside has been reported in Crocus speciosus and Ginkgo biloba with data available.

Names & identifiers

Preferred name: 3-((6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
IUPAC: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
English name: kaempferol-3-O-glucosyl(1-2)rhamnoside
Molecular formula: C27H30O15
Molecular weight: 594.52

Names & synonyms

142451-65-8Kaempferol-3-O-glucosyl(1-2)rhamnosideKemp-glu-rham3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneKempferol-3-O-glucosyl(1-2)rhamnosideDTXSID901620453-((6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one3-((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneRefChem:150819DTXCID3084536Kaempferol-3-O-beta-D-glucosyl(1-2)rhamnosideKaempferol 3-O-|A-L-rhamnopyranosyl(2,1)-|A-L-rhamnopyranoside

Show more names

Kaempferol-3-O-β-D-glucosyl(1-2)rhamnosideKaempferol-3-O-β-D-glucosyl(1-2)rhamnosideKaempferol-3-O-β -D-glucosyl(1-2)- α -L-rhamnosideKaempferol-3-O-β-D-glucosyl(1-2)rhamnoside, 10 mM in DMSOKaempferol 3-O-α-L-rhamnopyranosyl(2,1)-α-L-rhamnopyranosideKaempferol 3-O-β-D-glucopyranosyl-(1-2)-α-L-rhamnopyranosideKaempferol 3 O β D glucosyl(1 2)rhamnoside,Kaempferol3OβDglucosyl(12)rhamnoside4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-

Kaempferol 3-glucosyl-(1->2)-rhamnosidekaempferol-glucosylrhamnosideorb1218837orb1297023SCHEMBL29504121HY-N7932kaempferol-3-O-beta-neohesperidosideLMPK12111857

Database identifiers

CAS: 142451-65-8
PubChem CID: 5489470
DTXSID: DTXSID90162045
Nikkaji: J472.048B

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 245 Å²
Hydrogen bond donors: 9
Hydrogen bond acceptors: 15
Rotatable bonds: 6
Heavy atoms: 42
Formal charge: 0
Complexity: 985

Experimental & physicochemical properties

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

Physicochemical properties

Boiling point: 945.5 · 945.5±65.0 °C(Predicted)
Density: 1.76 · 1.76±0.1 g/cm3(Predicted)
pka: 6.2 · 6.20±0.40(Predicted)

Chemistry & industry

Applications

UsesKaempferol 3-O-α-L-rhamnopyranosyl(2,1)-α-L-rhamnopyranoside (compound 23) is a flavonoid isolated from the whole herb of E. wushanense[1].

Suppliers32 total

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

銘瑞集團有限公司17318633522 · [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]

成都彼样生物科技有限公司18108052721 · [email protected]

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Compound notes

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