Madecassoside
TL;DR: Madecassoside (CAS 39187-44-5) is a chemical compound with molecular formula C48H78O20 and molecular weight 974.51 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] 8,10,11-trihydroxy-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: Madecassoside, ASIATICOSIDE A, Redermic, Hydroxyasiaticoside, Madecassoside (Standard)
| Molecular Formula | C48H78O20 |
|---|---|
| Molecular Weight | 974.51 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 335.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 974.50867 |
| Heavy Atoms | 68 |
| Complexity | 1860.0 |
| Melting Point | 220 - 223 °C |
Chemical Identifiers
| CAS Number | 39187-44-5 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)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 | BNMGUJRJUUDLHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Madecassoside (CAS 39187-44-5), with molecular formula C48H78O20 and molecular weight 974.51 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] 8,10,11-trihydroxy-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 Madecassoside
Property Insights of Madecassoside
The XLogP value of -1.2 indicates that Madecassoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 335.0 Ų indicates high polarity, suggesting Madecassoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Madecassoside has 13 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Madecassoside?
The CAS number of Madecassoside is 39187-44-5.
What is the molecular formula of Madecassoside?
The molecular formula of Madecassoside is C48H78O20.
What is the molecular weight of Madecassoside?
The molecular weight of Madecassoside is 974.51 g/mol.
Where can I buy Madecassoside?
You can request a quote for Madecassoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Madecassoside?
Yes, KEHONG BIO provides custom synthesis services for Madecassoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.