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Chemical structure of Tortoside A

GC76404

Tortoside A

Also known as (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6R,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Tortoside A is a bioactive compound that could be found in the roots of Ilex pubescens

ChemicalCAS190655-16-4MW580.58FormulaC28H36O13
CAS number
190655-16-4
Molecular weight
580.58
Formula
C28H36O13
Solubility
DMSO： 20 mg/mL (34·45 mM; Need ultrasonic and warming)
InChIKey
WEKCEGQSIIQPAQ-XFKFGYJUSA-N
Catalogue number
GC76404
Brand
GLPBIO
Computed properties PubChem CID 101701119 · XLogP 0.4 · TPSA 175 Ų · H-bond donors 5
XLogP
0.4
TPSA
175 Ų
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
9
Heavy atoms
41

SMILES COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC

Computed descriptors from PubChem (CID 101701119), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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