Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside
TL;DR: Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside (CAS 88673-30-7) is a chemical compound with molecular formula C35H54O12 and molecular weight 666.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[12,14-dihydroxy-3-[4-hydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-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: Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside, 3-[12,14-dihydroxy-3-[4-hydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-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, 3-{[2,6-Dideoxy-4-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
| Molecular Formula | C35H54O12 |
|---|---|
| Molecular Weight | 666.36 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 666.3615 |
| Heavy Atoms | 47 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 88673-30-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(CC2O)OC3CCC4(C(C3)CCC5C4CC(C6(C5(CCC6C7=CC(=O)OC7)O)C)O)C)C)O)O)O |
| InChIKey | FSKRCOPPXZHDSV-UHFFFAOYSA-N |
Product Overview
Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside (CAS 88673-30-7), with molecular formula C35H54O12 and molecular weight 666.36 g/mol. IUPAC: 3-[12,14-dihydroxy-3-[4-hydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-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 Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside
Property Insights of Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside. The TPSA of 185.0 Ų indicates high polarity, suggesting Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside?
The CAS number of Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside is 88673-30-7.
What is the molecular formula of Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside?
The molecular formula of Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside is C35H54O12.
What is the molecular weight of Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside?
The molecular weight of Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside is 666.36 g/mol.
Where can I buy Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside?
You can request a quote for Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside?
Yes, KEHONG BIO provides custom synthesis services for Digoxigenin-3-O-beta-D-digitoxosido-beta-D-glucomethyloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.