Adigoside
TL;DR: Adigoside (CAS 14259-51-9) is a chemical compound with molecular formula C35H54O9 and molecular weight 618.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] 3-methylbutanoate
Also Known As: Adigoside, [14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] 3-methylbutanoate, 3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-16-[(3-methylbutanoyl)oxy]card-20(22)-enolide, 3beta-[(2,6-Dideoxy-3-O-methyl-beta-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-16beta-(3-methyl-1-oxobutyloxy)-5beta-card-20(22)-enolide, Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-beta-D-lyxo-hexopyranosyl)oxy)-14-hydroxy-16-(3-methyl-1-oxobutoxy)-, (3-beta,5-beta,16-beta)-
| Molecular Formula | C35H54O9 |
|---|---|
| Molecular Weight | 618.38 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 618.3768 |
| Heavy Atoms | 44 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 14259-51-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)CC(C)C)O)C)C)OC)O |
| InChIKey | UHDLSEIMWUMGBH-UHFFFAOYSA-N |
Product Overview
Adigoside (CAS 14259-51-9), with molecular formula C35H54O9 and molecular weight 618.38 g/mol. IUPAC: [14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] 3-methylbutanoate.
Chemical Property Profile of Adigoside
Property Insights of Adigoside
The XLogP value of 3.6 indicates that Adigoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adigoside. Following Lipinski's Rule of Five, Adigoside has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adigoside?
The CAS number of Adigoside is 14259-51-9.
What is the molecular formula of Adigoside?
The molecular formula of Adigoside is C35H54O9.
What is the molecular weight of Adigoside?
The molecular weight of Adigoside is 618.38 g/mol.
Where can I buy Adigoside?
You can request a quote for Adigoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adigoside?
Yes, KEHONG BIO provides custom synthesis services for Adigoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.