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Chemical structure of Quercetin-3-O-[(6-caffeoyl)-β-glucopyranosyl (1→3) α-rhamnopyranoside]-7-O-α-rhamnopyranoside

GC71927

Quercetin-3-O-[(6-caffeoyl)-β-glucopyranosyl (1→3) α-rhamnopyranoside]-7-O-α-rhamnopyranoside

Also known as [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Quercetin-3-O-[(6-caffeoyl)-β-glucopyranosyl (1→3) α-rhamnopyranoside]-7-O-α-rhamnopyranoside can be isolated from the aerial parts of the fern Ophioglossum vulgatum L and has wound healing activity

ChemicalCAS1459767-44-2MW918.8FormulaC42H46O23
CAS number
1459767-44-2
Molecular weight
918.8
Formula
C42H46O23
InChIKey
GDGHRGLYLYVORH-WNVRFBMYSA-N
Catalogue number
GC71927
Brand
GLPBIO
Computed properties PubChem CID 168510646 · XLogP -0.6 · TPSA 371 Ų · H-bond donors 13
XLogP
-0.6
TPSA
371 Ų
H-bond donors
13
H-bond acceptors
23
Rotatable bonds
12
Heavy atoms
65

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)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)C7=CC(=C(C=C7)O)O)O)O)O)O

Computed descriptors from PubChem (CID 168510646), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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