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Chemical structure of Liquiritin apioside

GC39008

Liquiritin apioside

Also known as (2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one

Liquiritin apioside, a main flavonoid component of licorice, possesses antitussive effects

ChemicalCAS74639-14-8MW550.51FormulaC26H30O13
CAS number
74639-14-8
Molecular weight
550.51
Formula
C26H30O13
Solubility
DMSO ： 100 mg/mL (181·65 mM; Need ultrasonic)
InChIKey
FTVKHUHJWDMWIR-DWMQJYMWSA-N
Catalogue number
GC39008
Brand
GLPBIO
Computed properties PubChem CID 10076238 · XLogP -0.8 · TPSA 205 Ų · H-bond donors 7
XLogP
-0.8
TPSA
205 Ų
H-bond donors
7
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
39

SMILES C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O

Computed descriptors from PubChem (CID 10076238), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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