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Chemical structure of Chrysophanol triglucoside

GC60706

Chrysophanol triglucoside

Also known as 1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione

Chrysophanol triglucoside is an anthraquinone isolated from Cassia obtusifolia, inhibits protein tyrosine phosphatases 1B (PTP1B) and α-glucosidase with IC50s of 80·17 and 197·06 ?M, respectively

ChemicalCAS120181-07-9MW740.66FormulaC33H40O19
CAS number
120181-07-9
Molecular weight
740.66
Formula
C33H40O19
InChIKey
SOWISUOFXLRAML-VULFOYAMSA-N
Catalogue number
GC60706
Brand
GLPBIO
Computed properties PubChem CID 5317697 · XLogP -2.5 · TPSA 312 Ų · H-bond donors 11
XLogP
-2.5
TPSA
312 Ų
H-bond donors
11
H-bond acceptors
19
Rotatable bonds
9
Heavy atoms
52

SMILES CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)C(=O)C6=C(C2=O)C=CC=C6O

Computed descriptors from PubChem (CID 5317697), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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