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Chemical structure of Kaempferol 3-O-sophoroside

GC36376

Kaempferol 3-O-sophoroside

Also known as 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-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

Kaempferol 3-O-sophoroside, a derivative of Kaempferol, is isolated from the leaves of cultivated mountain ginseng (Panax ginseng) with anti-inflammatory effects

ChemicalCAS19895-95-5MW610.52FormulaC27H30O16
CAS number
19895-95-5
Molecular weight
610.52
Formula
C27H30O16
Solubility
DMSO ： ≥ 100 mg/mL (163·79 mM)
InChIKey
LKZDFKLGDGSGEO-UJECXLDQSA-N
Catalogue number
GC36376
Brand
GLPBIO
Computed properties PubChem CID 5282155 · XLogP -0.9 · TPSA 266 Ų · H-bond donors 10
XLogP
-0.9
TPSA
266 Ų
H-bond donors
10
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
43

SMILES C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

Computed descriptors from PubChem (CID 5282155), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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