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Chemical structure of Acacetin-7-O-β-D-galactopyranoside

GC77068

Acacetin-7-O-β-D-galactopyranoside

Also known as 5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Acacetin-7-O-β-D-galactopyranoside is a flavonoid that can be isolated from flower heads of Chrysanthemum morifolium

ChemicalCAS80443-15-8MW446.4FormulaC22H22O10
CAS number
80443-15-8
Molecular weight
446.4
Formula
C22H22O10
InChIKey
NLZCOTZRUWYPTP-WHCFWRGISA-N
Catalogue number
GC77068
Brand
GLPBIO
Computed properties PubChem CID 5480899 · XLogP 0.3 · TPSA 155 Ų · H-bond donors 5
XLogP
0.3
TPSA
155 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
32

SMILES COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O

Computed descriptors from PubChem (CID 5480899), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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