Sitogluside
TL;DR: Sitogluside (CAS 50464-77-2) is a chemical compound with molecular formula C35H60O6 and molecular weight 576.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Sitogluside, Coriandrinol, Daucosterol, Alexandrin, Daucosterin
| Molecular Formula | C35H60O6 |
|---|---|
| Molecular Weight | 576.44 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 576.43896 |
| Heavy Atoms | 41 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 50464-77-2 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C |
| InChIKey | NPJICTMALKLTFW-QYDWNGEASA-N |
Product Overview
Sitogluside (CAS 50464-77-2), with molecular formula C35H60O6 and molecular weight 576.44 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Sitogluside
Property Insights of Sitogluside
The XLogP value of 7.7 indicates that Sitogluside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Sitogluside. Following Lipinski's Rule of Five, Sitogluside has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sitogluside?
The CAS number of Sitogluside is 50464-77-2.
What is the molecular formula of Sitogluside?
The molecular formula of Sitogluside is C35H60O6.
What is the molecular weight of Sitogluside?
The molecular weight of Sitogluside is 576.44 g/mol.
Where can I buy Sitogluside?
You can request a quote for Sitogluside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitogluside?
Yes, KEHONG BIO provides custom synthesis services for Sitogluside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.