[(2S,4R,5S)-6-[[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,6aR,6aS,6bR,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

Base Information

• Chemical Name: [(2S,4R,5S)-6-[[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,6aR,6aS,6bR,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 No.: 16830-15-2
• Molecular Formula: C48H78O19
• Molecular Weight: 959.136
• Hs Code.: 29389090
• NCI Thesaurus Code: C63665
• RXCUI: 18405
• Mol file: 16830-15-2.mol

Synonyms:asiaticoside;Centelase;Madecassol

Chemical Property of [(2S,4R,5S)-6-[[(2R,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,6aR,6aS,6bR,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

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 0.001Pa at 160℃
• Melting Point: 235-238 °C
• Refractive Index: 1.606
• Boiling Point: 949.4 °C at 760 mmHg
• PKA: 12.50±0.70(Predicted)
• Flash Point: 268.4 °C
• PSA: 315.21000
• Density: 1.35 g/cm³
• LogP: -1.03280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated), Methanol (Slightly)
• Water Solubility.: 99mg/L
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 10
• Exact Mass: 958.51373025
• Heavy Atom Count: 67
• Complexity: 1820

Purity/Quality:

99%, ^*data from raw suppliers

Asiaticoside ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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
• Isomeric SMILES: C[C@@H]1CCC2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6C([C@@H]([C@@H](C(O6)CO[C@H]7C([C@@H]([C@@H](C(O7)CO)O[C@H]8C([C@H]([C@H](C(O8)C)O)O)O)O)O)O)O)O
• Description: Asiaticoside is the main saponin constituent of C. asiatica, a plant long used in the Ayurvedic system of medicine to treat a variety of ailments including dermatitis, diabetes, cough, cataract, hypertension, as well as for wound healing and improving memory. In various wound healing models, topical application (0.2-0.4%), injection (1 mg), or ingestion (1 mg/kg) of asiaticoside has been shown to increase hydroxyproline content, improve tensile strength, increase collagen synthesis and remodeling of the collagen matrix, promote epithelialization, stimulate glycosaminoglycan synthesis, and elevate antioxidant levels.
• Uses: wound healing, anxiolytic Asiatic Acid is a terpenoid saponin component isolated from Centella asiatica with antioxidant and anti-inflammatory activities. Asiaticoside has been shown to possess strong wound-healing properties and reduces scar formation.