Name: Chrysophanol triglucoside
Rating: 5 (10 reviews)

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HIT ID:HIT214322300
Cas No:120181-07-9
常用名:Chrysophanol triglucoside
别名:大黄酚-1-O-Β-三葡萄糖苷
IUPAC: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]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-hydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione
IUPAC: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]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-hydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione
InChI key:SOWISUOFXLRAML-VULFOYAMSA-N

分子式:C33H40O19
分子量:740.664
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cccc3C(=O)c2c1
SMILES:Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cccc3C(=O)c2c1

Chrysophanol triglucoside is an anthraquinone isolated from Cassia obtusifolia , inhibits protein tyrosine phosphatases 1B (PTP1B) and α-glucosidase with IC 50 s of 80.17 and 197.06 μM, respectively. Chrysophanol triglucoside has the potential for diabetes research.

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