Digitoxigenin-alpha-D-rhamnoside
TL;DR: Digitoxigenin-alpha-D-rhamnoside (CAS 6046-53-3) is a chemical compound with molecular formula C29H44O8 and molecular weight 520.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-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: Evomonoside, Digitoxigenin-alpha-D-rhamnoside, 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-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, Card-20(22)-enolide, 3-[(6-deoxy-.alpha.-D-mannopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
| Molecular Formula | C29H44O8 |
|---|---|
| Molecular Weight | 520.30 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 520.3036 |
| Heavy Atoms | 37 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 6046-53-3 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O |
| InChIKey | WQMLFJWIKARBFW-ISVUHCLVSA-N |
Product Overview
Digitoxigenin-alpha-D-rhamnoside (CAS 6046-53-3), with molecular formula C29H44O8 and molecular weight 520.30 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-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 Digitoxigenin-alpha-D-rhamnoside
Property Insights of Digitoxigenin-alpha-D-rhamnoside
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digitoxigenin-alpha-D-rhamnoside. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Digitoxigenin-alpha-D-rhamnoside. Following Lipinski's Rule of Five, Digitoxigenin-alpha-D-rhamnoside has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digitoxigenin-alpha-D-rhamnoside?
The CAS number of Digitoxigenin-alpha-D-rhamnoside is 6046-53-3.
What is the molecular formula of Digitoxigenin-alpha-D-rhamnoside?
The molecular formula of Digitoxigenin-alpha-D-rhamnoside is C29H44O8.
What is the molecular weight of Digitoxigenin-alpha-D-rhamnoside?
The molecular weight of Digitoxigenin-alpha-D-rhamnoside is 520.30 g/mol.
Where can I buy Digitoxigenin-alpha-D-rhamnoside?
You can request a quote for Digitoxigenin-alpha-D-rhamnoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxigenin-alpha-D-rhamnoside?
Yes, KEHONG BIO provides custom synthesis services for Digitoxigenin-alpha-D-rhamnoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.