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Chemical structure of Cassiaside C

GC60673

Cassiaside C

Also known as 10-hydroxy-7-methoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one

Cassiaside C (Toralactone 9-O-β-D-gentiobioside) is a naphthopyrone isolated from the seed of Cassia tora and has inhibitory activity on advanced glycation end products (AGE)?formation in vitro

ChemicalCAS119170-52-4MW596.53FormulaC27H32O15
CAS number
119170-52-4
Molecular weight
596.53
Formula
C27H32O15
InChIKey
GBGJNKYTLIUCMX-YUMVGKRXSA-N
Catalogue number
GC60673
Brand
GLPBIO
Computed properties PubChem CID 5317701 · XLogP -0.6 · TPSA 234 Ų · H-bond donors 8
XLogP
-0.6
TPSA
234 Ų
H-bond donors
8
H-bond acceptors
15
Rotatable bonds
7
Heavy atoms
42

SMILES CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)OC

Computed descriptors from PubChem (CID 5317701), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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