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Chemical structure of Polygalic acid

GC36946

Polygalic acid

Also known as (2S,3R,4S,4aR,6aR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid

Polygalic acid, a triterpenoid saponin, is considered one of the major active constituents of Polygala tenuifolia

ChemicalCAS1260-04-4MW488.66FormulaC29H44O6
CAS number
1260-04-4
Molecular weight
488.66
Formula
C29H44O6
Solubility
DMSO： ≥ 250 mg/mL (511·60 mM)
InChIKey
VZRKWGPIZJDNHC-LUNVCWBOSA-N
Catalogue number
GC36946
Brand
GLPBIO
Computed properties PubChem CID 12442765 · XLogP 4.9 · TPSA 115 Ų · H-bond donors 4
XLogP
4.9
TPSA
115 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
35

SMILES C[C@@]12CC[C@@H]3[C@@]([C@H]1CCC4=C2CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C

Computed descriptors from PubChem (CID 12442765), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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