28-O-Glucopyranosylepiederagenin
TL;DR: 28-O-Glucopyranosylepiederagenin (CAS 146728-78-1) is a chemical compound with molecular formula C36H58O9 and molecular weight 634.4081 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: 28-Glu-epiederagenin, 28-O-Glucopyranosylepiederagenin, 1-O-(3,23-Dihydroxy-28-oxoolean-12-en-28-yl)hexopyranose, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, 1-O-(3beta,24-Dihydroxy-28-oxoolean-12-en-28-yl)-beta-D-glucopyranose
Technical Specifications
| Molecular Formula | C36H58O9 |
| Molecular Weight | 634.4081 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 634.4081 Da |
| Heavy Atoms | 45 |
| Complexity | 1200.0 |
| SMILES | C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)CO)O |
| InChIKey | WJMMBVSOQPALFO-ZHMISSTASA-N |
Chemical Property Profile of 28-O-Glucopyranosylepiederagenin
Property Insights of 28-O-Glucopyranosylepiederagenin
The XLogP value of 5.0 indicates that 28-O-Glucopyranosylepiederagenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting 28-O-Glucopyranosylepiederagenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 28-O-Glucopyranosylepiederagenin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 28-O-Glucopyranosylepiederagenin?
The CAS number of 28-O-Glucopyranosylepiederagenin is 146728-78-1.
What is the molecular formula of 28-O-Glucopyranosylepiederagenin?
The molecular formula of 28-O-Glucopyranosylepiederagenin is C36H58O9.
What is the molecular weight of 28-O-Glucopyranosylepiederagenin?
The molecular weight of 28-O-Glucopyranosylepiederagenin is 634.4081 g/mol.
Where can I buy 28-O-Glucopyranosylepiederagenin?
You can request a quote for 28-O-Glucopyranosylepiederagenin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 28-O-Glucopyranosylepiederagenin?
Yes, CoreyChem provides custom synthesis services for 28-O-Glucopyranosylepiederagenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.