Asiaticoside
TL;DR: Asiaticoside (CAS 16830-15-2) is a chemical compound with molecular formula C48H78O19 and molecular weight 958.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 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
Also Known As: Asiaticoside, Madecassol, Asiaticosid, Emdecassol, Dermatologico
| Molecular Formula | C48H78O19 |
|---|---|
| Molecular Weight | 958.51 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 958.51373 |
| Heavy Atoms | 67 |
| Complexity | 1820.0 |
| Melting Point | 235 - 238 °C |
Chemical Identifiers
| CAS Number | 16830-15-2 |
|---|---|
| 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-UHFFFAOYSA-N |
Product Overview
Asiaticoside (CAS 16830-15-2), with molecular formula C48H78O19 and molecular weight 958.51 g/mol. IUPAC: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 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 Profile of Asiaticoside
Property Insights of Asiaticoside
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asiaticoside. The TPSA of 315.0 Ų indicates high polarity, suggesting Asiaticoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asiaticoside has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asiaticoside?
The CAS number of Asiaticoside is 16830-15-2.
What is the molecular formula of Asiaticoside?
The molecular formula of Asiaticoside is C48H78O19.
What is the molecular weight of Asiaticoside?
The molecular weight of Asiaticoside is 958.51 g/mol.
Where can I buy Asiaticoside?
You can request a quote for Asiaticoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asiaticoside?
Yes, KEHONG BIO provides custom synthesis services for Asiaticoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.