Cannogenol-3-O-beta-D-allomethyloside
TL;DR: Cannogenol-3-O-beta-D-allomethyloside (CAS 75828-85-2) is a chemical compound with molecular formula C29H44O9 and molecular weight 536.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,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: Frugoside, Cannogenol-3-O-beta-D-allomethyloside, cannogenol 3-O-beta-D-allomethyloside, Card-20(22)-enolide, 3-((6-deoxy-beta-D-allopyranosyl)oxy)-14,19-dihydroxy-, (3beta,5beta)-, (3
| Molecular Formula | C29H44O9 |
|---|---|
| Molecular Weight | 536.30 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.2985 |
| Heavy Atoms | 38 |
| Complexity | 970.0 |
Chemical Identifiers
| CAS Number | 75828-85-2 |
|---|---|
| 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([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)CO)O)O)O |
| InChIKey | WPVGSIBYLZQSIK-PWSVBBPESA-N |
Product Overview
Cannogenol-3-O-beta-D-allomethyloside (CAS 75828-85-2), with molecular formula C29H44O9 and molecular weight 536.30 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,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 Cannogenol-3-O-beta-D-allomethyloside
Property Insights of Cannogenol-3-O-beta-D-allomethyloside
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cannogenol-3-O-beta-D-allomethyloside. The TPSA of 146.0 Ų indicates high polarity, suggesting Cannogenol-3-O-beta-D-allomethyloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cannogenol-3-O-beta-D-allomethyloside has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cannogenol-3-O-beta-D-allomethyloside?
The CAS number of Cannogenol-3-O-beta-D-allomethyloside is 75828-85-2.
What is the molecular formula of Cannogenol-3-O-beta-D-allomethyloside?
The molecular formula of Cannogenol-3-O-beta-D-allomethyloside is C29H44O9.
What is the molecular weight of Cannogenol-3-O-beta-D-allomethyloside?
The molecular weight of Cannogenol-3-O-beta-D-allomethyloside is 536.30 g/mol.
Where can I buy Cannogenol-3-O-beta-D-allomethyloside?
You can request a quote for Cannogenol-3-O-beta-D-allomethyloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cannogenol-3-O-beta-D-allomethyloside?
Yes, KEHONG BIO provides custom synthesis services for Cannogenol-3-O-beta-D-allomethyloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.