Thevebioside
TL;DR: Thevebioside (CAS 114586-47-9) is a chemical compound with molecular formula C36H56O13 and molecular weight 696.3721 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-[[(2R,5S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxymethyl]oxan-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: Thevebioside, Thevebiosid, Thevebiosid [German], 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-2-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-, 3-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-[[(2R,5S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxymethyl]oxan-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
Technical Specifications
| Molecular Formula | C36H56O13 |
| Molecular Weight | 696.3721 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 696.3721 Da |
| Heavy Atoms | 49 |
| Complexity | 1260.0 |
| SMILES | CC1[C@H](C(C([C@@H](O1)O)OCC2[C@H](C(C([C@H](O2)O[C@H]3CC[C@]4([C@@H](C3)CCC5C4CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)C)O)OC)O)O)O |
| InChIKey | RHERCAMWDSQFOH-QBAHGVQYSA-N |
Chemical Property Profile of Thevebioside
Property Insights of Thevebioside
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thevebioside. The TPSA of 194.0 Ų indicates high polarity, suggesting Thevebioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thevebioside has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thevebioside?
The CAS number of Thevebioside is 114586-47-9.
What is the molecular formula of Thevebioside?
The molecular formula of Thevebioside is C36H56O13.
What is the molecular weight of Thevebioside?
The molecular weight of Thevebioside is 696.3721 g/mol.
Where can I buy Thevebioside?
You can request a quote for Thevebioside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thevebioside?
Yes, CoreyChem provides custom synthesis services for Thevebioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.