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Chemical structure of Nothofagin

GC61139

Nothofagin

Also known as 3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one

Nothofagin, a dihydrochalcone, is isolated from rooibos (Aspalathus linearis)

ChemicalCAS11023-94-2MW436.41FormulaC21H24O10
CAS number
11023-94-2
Molecular weight
436.41
Formula
C21H24O10
InChIKey
VZBPTZZTCBNBOZ-VJXVFPJBSA-N
Catalogue number
GC61139
Brand
GLPBIO
Computed properties PubChem CID 21722188 · XLogP 0.2 · TPSA 188 Ų · H-bond donors 8
XLogP
0.2
TPSA
188 Ų
H-bond donors
8
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
31

SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

Computed descriptors from PubChem (CID 21722188), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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