Andrographiside
TL;DR: Andrographiside (CAS 82209-76-5) is a chemical compound with molecular formula C26H40O10 and molecular weight 512.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-[2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
Also Known As: Andrographiside, Andrographoside, B0005-458193, 4-hydroxy-3-[2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one, (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
| Molecular Formula | C26H40O10 |
|---|---|
| Molecular Weight | 512.26 g/mol |
| LogP | -0.2132 |
| Topological Polar Surface Area | 166.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.26215 |
| Heavy Atoms | 36 |
| Complexity | 872.7862 |
Chemical Identifiers
| CAS Number | 82209-76-5 |
|---|---|
| SMILES | CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)COC4C(C(C(C(O4)CO)O)O)O)O |
Product Overview
Andrographiside (CAS 82209-76-5), with molecular formula C26H40O10 and molecular weight 512.26 g/mol. IUPAC: 4-hydroxy-3-[2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one.
Chemical Property Profile of Andrographiside
Property Insights of Andrographiside
The XLogP value of -0.2132 indicates that Andrographiside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.14 Ų indicates high polarity, suggesting Andrographiside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Andrographiside has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Andrographiside?
The CAS number of Andrographiside is 82209-76-5.
What is the molecular formula of Andrographiside?
The molecular formula of Andrographiside is C26H40O10.
What is the molecular weight of Andrographiside?
The molecular weight of Andrographiside is 512.26 g/mol.
Where can I buy Andrographiside?
You can request a quote for Andrographiside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Andrographiside?
Yes, KEHONG BIO provides custom synthesis services for Andrographiside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.