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Chemical structure of Catechin 7-O-β-D-glucopyranoside

GC68835

Catechin 7-O-β-D-glucopyranoside

Also known as (2S,3R,4S,5S,6R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Catechin 7-O-beta-D-glucopyranoside is a naturally occurring compound with oral activity, found in Ulmus davidiana and Paeonia obovata· It has antioxidant and anti-inflammatory properties, and can alleviate mitochondrial dysfunction· It can be used for research on inflammatory bowel disease

ChemicalCAS65597-47-9MW452.41FormulaC21H24O11
CAS number
65597-47-9
Molecular weight
452.41
Formula
C21H24O11
InChIKey
VLFIBROLAXKPQK-DPRDWZRASA-N
Catalogue number
GC68835
Brand
GLPBIO
Computed properties PubChem CID 10789789 · XLogP -1.4 · TPSA 190 Ų · H-bond donors 8
XLogP
-1.4
TPSA
190 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
32

SMILES C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O

Computed descriptors from PubChem (CID 10789789), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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