purpurea glycoside A
TL;DR: purpurea glycoside A (CAS 19855-40-4) is a chemical compound with molecular formula C47H74O18 and molecular weight 926.49 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)-3-[(2S,4S,5R,6R)-5-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,4S,5R,6R)-5-hydroxy-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14-hydroxy-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: Purpurea glycoside A, Glucodigitoxin, Purpureaglykosid A, Desacetyldigilanide A, Deacetyllanatoside A
| Molecular Formula | C47H74O18 |
|---|---|
| Molecular Weight | 926.49 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 926.4875 |
| Heavy Atoms | 65 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 19855-40-4 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6CC[C@]8(C7(CC[C@@H]8C9=CC(=O)OC9)O)C)C)C)O)O |
| InChIKey | WJOCFXCSQDOQQR-MIKBVDKDSA-N |
Product Overview
purpurea glycoside A (CAS 19855-40-4), with molecular formula C47H74O18 and molecular weight 926.49 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-5-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,4S,5R,6R)-5-hydroxy-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14-hydroxy-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 purpurea glycoside A
Property Insights of purpurea glycoside A
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for purpurea glycoside A. The TPSA of 262.0 Ų indicates high polarity, suggesting purpurea glycoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, purpurea glycoside A has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of purpurea glycoside A?
The CAS number of purpurea glycoside A is 19855-40-4.
What is the molecular formula of purpurea glycoside A?
The molecular formula of purpurea glycoside A is C47H74O18.
What is the molecular weight of purpurea glycoside A?
The molecular weight of purpurea glycoside A is 926.49 g/mol.
Where can I buy purpurea glycoside A?
You can request a quote for purpurea glycoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for purpurea glycoside A?
Yes, KEHONG BIO provides custom synthesis services for purpurea glycoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.