Digoxigenin-beta-D-glucosid
TL;DR: Digoxigenin-beta-D-glucosid (CAS 25817-75-8) is a chemical compound with molecular formula C29H44O10 and molecular weight 552.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-beta-D-glucosid, Digoxigenin-beta-D-glucosid [German], 4-18-00-02456 (Beilstein Handbook Reference), 12-beta,14-Dihydroxy-3-beta-((beta-D-glucopyranosyl)oxy)-5-beta-card-20(22)-enolide, 3-(Hexopyranosyloxy)-12,14-dihydroxycard-20(22)-enolide
| Molecular Formula | C29H44O10 |
|---|---|
| Molecular Weight | 552.29 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 552.29346 |
| Heavy Atoms | 39 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 25817-75-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O |
| InChIKey | CUAXLUAVLKYFFN-DIODYCJYSA-N |
Product Overview
Digoxigenin-beta-D-glucosid (CAS 25817-75-8), with molecular formula C29H44O10 and molecular weight 552.29 g/mol. IUPAC: 3-[(3S,5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-beta-D-glucosid
Property Insights of Digoxigenin-beta-D-glucosid
The XLogP value of -0.4 indicates that Digoxigenin-beta-D-glucosid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Digoxigenin-beta-D-glucosid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digoxigenin-beta-D-glucosid 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 Digoxigenin-beta-D-glucosid?
The CAS number of Digoxigenin-beta-D-glucosid is 25817-75-8.
What is the molecular formula of Digoxigenin-beta-D-glucosid?
The molecular formula of Digoxigenin-beta-D-glucosid is C29H44O10.
What is the molecular weight of Digoxigenin-beta-D-glucosid?
The molecular weight of Digoxigenin-beta-D-glucosid is 552.29 g/mol.
Where can I buy Digoxigenin-beta-D-glucosid?
You can request a quote for Digoxigenin-beta-D-glucosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digoxigenin-beta-D-glucosid?
Yes, KEHONG BIO provides custom synthesis services for Digoxigenin-beta-D-glucosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.