Scillicyanoside
TL;DR: Scillicyanoside (CAS 11005-49-5) is a chemical compound with molecular formula C32H42O12 and molecular weight 618.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S,10S,13R,14S,16S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Scillicyanoside, Scillicyanosid, Scillicyanosid [German], [(5S,10S,13R,14S,16S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate, 4-18-00-03248 (Beilstein Handbook Reference)
| Molecular Formula | C32H42O12 |
|---|---|
| Molecular Weight | 618.27 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.26764 |
| Heavy Atoms | 44 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 11005-49-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@]2(C3CC[C@@]4(C=CCC[C@@]4(C3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C=O)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O)O |
| InChIKey | DDAAWSFCUWNNES-VZVRGTEASA-N |
Product Overview
Scillicyanoside (CAS 11005-49-5), with molecular formula C32H42O12 and molecular weight 618.27 g/mol. IUPAC: [(5S,10S,13R,14S,16S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of Scillicyanoside
Property Insights of Scillicyanoside
The XLogP value of -0.1 indicates that Scillicyanoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Scillicyanoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scillicyanoside has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scillicyanoside?
The CAS number of Scillicyanoside is 11005-49-5.
What is the molecular formula of Scillicyanoside?
The molecular formula of Scillicyanoside is C32H42O12.
What is the molecular weight of Scillicyanoside?
The molecular weight of Scillicyanoside is 618.27 g/mol.
Where can I buy Scillicyanoside?
You can request a quote for Scillicyanoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scillicyanoside?
Yes, KEHONG BIO provides custom synthesis services for Scillicyanoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.