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Chemical structure of Calceolarioside B

GC35581

Calceolarioside B

Also known as [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Calceolarioside B is a natural product isolated from Stauntonia hexaphylla leaves· Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23·99 μM· Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94·60 μM

ChemicalCAS105471-98-5MW478.45FormulaC23H26O11
CAS number
105471-98-5
Molecular weight
478.45
Formula
C23H26O11
Solubility
Soluble in DMSO
InChIKey
LFKQVVDFNHDYNK-FOXCETOMSA-N
Catalogue number
GC35581
Brand
GLPBIO
Computed properties PubChem CID 5273567 · XLogP 0.6 · TPSA 186 Ų · H-bond donors 7
XLogP
0.6
TPSA
186 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
34

SMILES C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 5273567), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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