quercetin-3-O-[6′′′-O-p-coumaroyl-β-D-glucopyranosyl-(1→2)-α-L-rhamnopyranoside]

Base Information

• Chemical Name: quercetin-3-O-[6′′′-O-p-coumaroyl-β-D-glucopyranosyl-(1→2)-α-L-rhamnopyranoside]
• CAS No.: 143061-65-8
• Molecular Formula: C₃₆H₃₆O₁₈
• Molecular Weight: 756.671
• UNII: 8PGL6583N7
• Nikkaji Number: J505.763I
• Wikidata: Q27134826
• Metabolomics Workbench ID: 64492
• Mol file: 143061-65-8.mol

Synonyms:143061-65-8;Quercetin-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside;UNII-8PGL6583N7;8PGL6583N7;Quercetin-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside (constituent of ginkgo) [DSC];[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate;quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside];Quercetin 3-O-beta-(6''-p-coumaroyl)glucopyranosyl(1->2)-alpha-L-rhamnopyranoside;(E)-((2R,3S,4S,5R,6S)-6-(((2S,3R,4R,5R,6S)-2-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside;4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-(6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-;Quercetin 3-O-beta-D-(6''-p-coumaroyl)glucopyranosyl(1-->2)-alpha-L-rhamnopyranoside;CHEBI:66285;HY-N6964;AKOS040760659;Quercetin-3-O-[2-O-(6-O-p-hydroxyl-E-coumaroyl)-D-glucosyl]-(1-2)-L-rhamnoside;MS-31343;PD127129;CS-0101452;D85019;Q27134826;Quercetin 3-O-??-D-(6''-p-coumaroyl)glucopyranosyl(1??2)-??-L-rhamnopyranoside;Quercetin 3-O-alpha-L-[6'''-p-coumaroyl-(beta-D)-glucopyranosyl-(1-2)-rhamnopyranoside];3-(2-O-[6-O-(p-coumaroyl)-beta-d-glucopyranosyl]-alpha-l-rhamnopyranosyloxy)-3',4',5,7-tetrahydroxyflavone;4H-1-BENZOPYRAN-4-ONE, 3-((6-DEOXY-2-O-(6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)-.ALPHA.-L-MANNOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-;Quercetin 3-O-|A-D-(6''-p-coumaroyl)glucopyranosyl(1 inverted exclamation marku2)-|A-L-rhamnopyranoside

Chemical Property of quercetin-3-O-[6′′′-O-p-coumaroyl-β-D-glucopyranosyl-(1→2)-α-L-rhamnopyranoside]

Chemical Property:

• Boiling Point: 1092.2±65.0 °C(Predicted)
• Density: 1.73±0.1 g/cm3(Predicted)
• XLogP3: 1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 756.19016430
• Heavy Atom Count: 54
• Complexity: 1370

Purity/Quality:

99%+, ^*data from raw suppliers

Quercetin3-O-beta-(6''-p-coumaroyl)glucopyranosyl(1->2)-alpha-L-rhamnopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC=C(C=C6)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O