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Chemical structure of 3-O-Beta-D-Glucopyranosylplatycodigenin

GC35119

3-O-Beta-D-Glucopyranosylplatycodigenin

Also known as (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

3-O-Beta-D-Glucopyranosylplatycodigenin is an oleanane-type triterpenoid isolated from roots of Platycodon grandiflorum· 3-O-Beta-D-Glucopyranosylplatycodigenin exhibits anti-proliferative activities against HSC-T6 cell line with an IC50 of 13·36 μM

ChemicalCAS38337-25-6MW682.84FormulaC36H58O12
CAS number
38337-25-6
Molecular weight
682.84
Formula
C36H58O12
Solubility
Soluble in DMSO
InChIKey
HPVWWHYNAAZHQR-KNSUCORESA-N
Catalogue number
GC35119
Brand
GLPBIO
Computed properties PubChem CID 102185205 · XLogP 1.9 · TPSA 218 Ų · H-bond donors 9
XLogP
1.9
TPSA
218 Ų
H-bond donors
9
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
48

SMILES C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)(C[C@@H]([C@@H](C3(CO)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C

Computed descriptors from PubChem (CID 102185205), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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