Asiaticoside SMILES

SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O

Chemical Structure

Check the Asiaticoside product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
CAS Number	16830-15-2
Molecular Formula	C₄₈H₇₈O₁₉
Molecular Weight (MW)	959.12
SMILES	CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O
InChIKey	WYQVAPGDARQUBT-FGWHUCSPSA-N

Concentration Volume Mass

Batch:

All in vitro solubility values are batch-tested experimental data (non-literature values).

Solvent	Solubility & Note
DMSO	100 mg/mL (104.26 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water	Insoluble
Ethanol	Insoluble
DMSO	100 mg/mL (104.26 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water	Insoluble
Ethanol	Insoluble
DMSO	100 mg/mL (104.26 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water	Insoluble
Ethanol	Insoluble

FAQ

Q: Why does a DMSO stock precipitate in media/saline?

A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.

How to fix it?