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Chemical structure of Liguiritigenin-7-O-D-apiosyl-4'-O-D-glucoside

GC36460

Liguiritigenin-7-O-D-apiosyl-4'-O-D-glucoside

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

Liguiritigenin-7-O-D-apiosyl-4'-O-D-glucoside is a flavanone glycoside isolated from Glycyrrhizia inflate

ChemicalCAS199796-12-8MW550.51FormulaC26H30O13
CAS number
199796-12-8
Molecular weight
550.51
Formula
C26H30O13
Solubility
DMSO ： ≥ 100 mg/mL (181·65 mM)
InChIKey
KEABDZDFSMGRQX-DWMQJYMWSA-N
Catalogue number
GC36460
Brand
GLPBIO
Computed properties PubChem CID 124578359 · XLogP -1 · TPSA 205 Ų · H-bond donors 7
XLogP
-1
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[C@H]3[C@@H]([C@](CO3)(CO)O)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Computed descriptors from PubChem (CID 124578359), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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