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Chemical structure of Quercetin 3-O-β-D-(6''-p-coumaroyl)glucopyranosyl(1→2)-α-L-rhamnopyranoside

GC62058

Quercetin 3-O-β-D-(6''-p-coumaroyl)glucopyranosyl(1→2)-α-L-rhamnopyranoside

Also known as [(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-β-D-(6''-p-coumaroyl)glucopyranosyl(1→2)-α-L-rhamnopyranoside (Quercetin-3-O-[2-O-(6-O-p-hydroxyl-E-coumaroyl)-D-glucosyl]-(1→2)-L-rhamnoside) is one of the major antioxidants of Ginkgo biloba leaves

ChemicalCAS143061-65-8MW756.66FormulaC36H36O18
CAS number
143061-65-8
Molecular weight
756.66
Formula
C36H36O18
InChIKey
LSMKTLJKBSXMMR-WLKGHKDFSA-N
Catalogue number
GC62058
Brand
GLPBIO
Computed properties PubChem CID 10169367 · XLogP 1 · TPSA 292 Ų · H-bond donors 10
XLogP
1
TPSA
292 Ų
H-bond donors
10
H-bond acceptors
18
Rotatable bonds
10
Heavy atoms
54

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

Computed descriptors from PubChem (CID 10169367), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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