Gitoxigenin bisdigitoxoside
TL;DR: Gitoxigenin bisdigitoxoside (CAS 33538-76-0) is a chemical compound with molecular formula C35H54O11 and molecular weight 650.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Gitoxigenin bisdigitoxoside, 3-{[2,6-dideoxy-4-o-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide, 3-[3-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C35H54O11 |
|---|---|
| Molecular Weight | 650.37 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 650.36664 |
| Heavy Atoms | 46 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 33538-76-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3CCC4(C(C3)CCC5C4CCC6(C5(CC(C6C7=CC(=O)OC7)O)O)C)C)C)O)O |
| InChIKey | XTHIXAGXFWPWQI-UHFFFAOYSA-N |
Product Overview
Gitoxigenin bisdigitoxoside (CAS 33538-76-0), with molecular formula C35H54O11 and molecular weight 650.37 g/mol. IUPAC: 3-[3-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Gitoxigenin bisdigitoxoside
Property Insights of Gitoxigenin bisdigitoxoside
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gitoxigenin bisdigitoxoside. The TPSA of 164.0 Ų indicates high polarity, suggesting Gitoxigenin bisdigitoxoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gitoxigenin bisdigitoxoside has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gitoxigenin bisdigitoxoside?
The CAS number of Gitoxigenin bisdigitoxoside is 33538-76-0.
What is the molecular formula of Gitoxigenin bisdigitoxoside?
The molecular formula of Gitoxigenin bisdigitoxoside is C35H54O11.
What is the molecular weight of Gitoxigenin bisdigitoxoside?
The molecular weight of Gitoxigenin bisdigitoxoside is 650.37 g/mol.
Where can I buy Gitoxigenin bisdigitoxoside?
You can request a quote for Gitoxigenin bisdigitoxoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gitoxigenin bisdigitoxoside?
Yes, KEHONG BIO provides custom synthesis services for Gitoxigenin bisdigitoxoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.