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Chemical structure of Polygalasaponin V

GC36944

Polygalasaponin V

Also known as [3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[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-carboxylate

Polygalasaponin V is a triterpenoid saponin isolated from the aerial parts of Polygala japonica

ChemicalCAS162857-65-0MW1223.35FormulaC58H94O27
CAS number
162857-65-0
Molecular weight
1223.35
Formula
C58H94O27
Solubility
DMSO ： 100 mg/mL (81·74 mM; Need ultrasonic)
InChIKey
OIVDEBIGYOTPKV-UHFFFAOYSA-N
Catalogue number
GC36944
Brand
GLPBIO
Computed properties PubChem CID 85125579 · XLogP -2 · TPSA 433 Ų · H-bond donors 16
XLogP
-2
TPSA
433 Ų
H-bond donors
16
H-bond acceptors
27
Rotatable bonds
15
Heavy atoms
85

SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)CO)O)O)O)OC9C(C(CO9)(CO)O)O)OC1C(C(C(CO1)O)O)O

Computed descriptors from PubChem (CID 85125579), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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