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Chemical structure of Licorice glycoside C2

GC36453

Licorice glycoside C2

Also known as [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Licorice glycoside C2 is a oleanane-type triterpene oligoglycoside isolated from Glycyrrhiza uralensis

ChemicalCAS202657-55-4MW726.68FormulaC36H38O16
CAS number
202657-55-4
Molecular weight
726.68
Formula
C36H38O16
Solubility
Soluble in DMSO
InChIKey
GSIREHLZHMQJNR-GUEBRSMLSA-N
Catalogue number
GC36453
Brand
GLPBIO
Computed properties PubChem CID 101938907 · XLogP 0.9 · TPSA 240 Ų · H-bond donors 7
XLogP
0.9
TPSA
240 Ų
H-bond donors
7
H-bond acceptors
16
Rotatable bonds
12
Heavy atoms
52

SMILES COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@]2(CO[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=CC=C(C=C4)[C@@H]5CC(=O)C6=C(O5)C=C(C=C6)O)CO)O)O)O)O

Computed descriptors from PubChem (CID 101938907), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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