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Chemical structure of Kaempferol-3-O-(2''-O-β-D-glucopyl)-β-D-rutinoside

GC64240

Kaempferol-3-O-(2''-O-β-D-glucopyl)-β-D-rutinoside

Also known as 3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Kaempferol-3-O-(2''-O-β-D-glucopyl)-β-D-rutinoside is a natural glycoside that could be found in Camellia oleifera seeds

ChemicalCAS55696-58-7MW756.66FormulaC33H40O20
CAS number
55696-58-7
Molecular weight
756.66
Formula
C33H40O20
InChIKey
VNLOLXSJMINBIS-UHFFFAOYSA-N
Catalogue number
GC64240
Brand
GLPBIO
Computed properties PubChem CID 14890565 · XLogP -2.5 · TPSA 324 Ų · H-bond donors 12
XLogP
-2.5
TPSA
324 Ų
H-bond donors
12
H-bond acceptors
20
Rotatable bonds
9
Heavy atoms
53

SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 14890565), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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