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

GC71933

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

Kaempferol-3-O-[(6-caffeoyl)-β-glucopyranosyl (1→3) α-rhamnopyranoside]-7-O-α-rhamnopyranoside (Compound 3) is a wound healing agent with dose-dependent wound healing ability

ChemicalCAS1459767-45-3MW902.8FormulaC42H46O22
CAS number
1459767-45-3
Molecular weight
902.8
Formula
C42H46O22
InChIKey
NOYWIWKAFOXLPQ-YXCGFLSXSA-N
Catalogue number
GC71933
Brand
GLPBIO
Computed properties PubChem CID 168510648 · XLogP -0.3 · TPSA 351 Ų · H-bond donors 12
XLogP
-0.3
TPSA
351 Ų
H-bond donors
12
H-bond acceptors
22
Rotatable bonds
12
Heavy atoms
64

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

Computed descriptors from PubChem (CID 168510648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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