Glucoscillipheoside
TL;DR: Glucoscillipheoside (CAS 21305-13-5) is a chemical compound with molecular formula C36H52O14 and molecular weight 708.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,10R,12R,13S,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Glucoscillipheoside, Glucoscilliphaosid [German], 3-{[4-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxybufa-4,20,22-trienolide, (8xi,9xi)-3beta-{[4-O-(6-Deoxy-beta-D-glucopyranosyl)-beta-L-gulopyranosyl]oxy}-12beta,14-dihydroxybufa-4,20,22-trienolide, 5-[(3S,10R,12R,13S,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
| Molecular Formula | C36H52O14 |
|---|---|
| Molecular Weight | 708.34 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 708.3357 |
| Heavy Atoms | 50 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 21305-13-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H](O[C@@H]([C@H]([C@H]2O)O)O[C@H]3CC[C@@]4(C5C[C@H]([C@@]6([C@H](CC[C@@]6(C5CCC4=C3)O)C7=COC(=O)C=C7)C)O)C)CO)O)O)O |
| InChIKey | XTWOVFUZCWTCGK-SUHMDECMSA-N |
Product Overview
Glucoscillipheoside (CAS 21305-13-5), with molecular formula C36H52O14 and molecular weight 708.34 g/mol. IUPAC: 5-[(3S,10R,12R,13S,14S,17R)-3-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Glucoscillipheoside
Property Insights of Glucoscillipheoside
The XLogP value of -1.5 indicates that Glucoscillipheoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting Glucoscillipheoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucoscillipheoside has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glucoscillipheoside?
The CAS number of Glucoscillipheoside is 21305-13-5.
What is the molecular formula of Glucoscillipheoside?
The molecular formula of Glucoscillipheoside is C36H52O14.
What is the molecular weight of Glucoscillipheoside?
The molecular weight of Glucoscillipheoside is 708.34 g/mol.
Where can I buy Glucoscillipheoside?
You can request a quote for Glucoscillipheoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucoscillipheoside?
Yes, KEHONG BIO provides custom synthesis services for Glucoscillipheoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.