Digitoxigenin-beta-tetraacetyl-d-glucoside
TL;DR: Digitoxigenin-beta-tetraacetyl-d-glucoside (CAS 35068-75-8) is a chemical compound with molecular formula C37H52O13 and molecular weight 704.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,6R)-3,4,5-triacetyloxy-6-[[(3S,5R,10S,13R,14S,17R)-14-hydroxy-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-3-yl]oxy]oxan-2-yl]methyl acetate
Also Known As: Digitoxigenin-beta-tetraacetyl-d-glucoside, (3beta,5beta)-14-Hydroxy-3-(2,3,4,6-tetraacetyl-beta-D-glucopyranosyloxy)card-20(22)-enolide, Card-20(22)-enolide, 14-hydroxy-3-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, (3-beta,5-beta)-, 14-Hydroxy-3-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]card-20(22)-enolide, (8xi,9xi)-14-Hydroxy-3beta-[(2,3,4,6-tetra-O-acetyl-beta-D-glycero-hexopyranosyl)oxy]-5beta-card-20(22)-enolide
| Molecular Formula | C37H52O13 |
|---|---|
| Molecular Weight | 704.34 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 704.3408 |
| Heavy Atoms | 50 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 35068-75-8 |
|---|---|
| SMILES | CC(=O)OCC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | JVPQSPMBCSUIQA-BHICCFOUSA-N |
Product Overview
Digitoxigenin-beta-tetraacetyl-d-glucoside (CAS 35068-75-8), with molecular formula C37H52O13 and molecular weight 704.34 g/mol. IUPAC: [(3R,6R)-3,4,5-triacetyloxy-6-[[(3S,5R,10S,13R,14S,17R)-14-hydroxy-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-3-yl]oxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of Digitoxigenin-beta-tetraacetyl-d-glucoside
Property Insights of Digitoxigenin-beta-tetraacetyl-d-glucoside
The XLogP value of 3.3 indicates that Digitoxigenin-beta-tetraacetyl-d-glucoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Digitoxigenin-beta-tetraacetyl-d-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digitoxigenin-beta-tetraacetyl-d-glucoside has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digitoxigenin-beta-tetraacetyl-d-glucoside?
The CAS number of Digitoxigenin-beta-tetraacetyl-d-glucoside is 35068-75-8.
What is the molecular formula of Digitoxigenin-beta-tetraacetyl-d-glucoside?
The molecular formula of Digitoxigenin-beta-tetraacetyl-d-glucoside is C37H52O13.
What is the molecular weight of Digitoxigenin-beta-tetraacetyl-d-glucoside?
The molecular weight of Digitoxigenin-beta-tetraacetyl-d-glucoside is 704.34 g/mol.
Where can I buy Digitoxigenin-beta-tetraacetyl-d-glucoside?
You can request a quote for Digitoxigenin-beta-tetraacetyl-d-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxigenin-beta-tetraacetyl-d-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Digitoxigenin-beta-tetraacetyl-d-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.