Deacetylscilliroside
TL;DR: Deacetylscilliroside (CAS 80496-58-8) is a chemical compound with molecular formula C30H42O11 and molecular weight 578.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,6R,8S,9R,10R,13R,14R,17R)-6,8,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Deacetylscilliroside, Desacetylscilliroside, 6-Desacetyl-scilliroside, 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-6,8,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one, 3-(Hexopyranosyloxy)-6,8,14-trihydroxybufa-4,20,22-trienolide
| Molecular Formula | C30H42O11 |
|---|---|
| Molecular Weight | 578.27 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 578.2727 |
| Heavy Atoms | 41 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 80496-58-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@]4(CC[C@@H](C=C4[C@@H](C[C@]3([C@]1(CC[C@@H]2C5=COC(=O)C=C5)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C |
| InChIKey | XLCCXBCMWUOBIG-GBLFHTIZSA-N |
Product Overview
Deacetylscilliroside (CAS 80496-58-8), with molecular formula C30H42O11 and molecular weight 578.27 g/mol. IUPAC: 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-6,8,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Deacetylscilliroside
Property Insights of Deacetylscilliroside
The XLogP value of -1.0 indicates that Deacetylscilliroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.0 Ų indicates high polarity, suggesting Deacetylscilliroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deacetylscilliroside has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deacetylscilliroside?
The CAS number of Deacetylscilliroside is 80496-58-8.
What is the molecular formula of Deacetylscilliroside?
The molecular formula of Deacetylscilliroside is C30H42O11.
What is the molecular weight of Deacetylscilliroside?
The molecular weight of Deacetylscilliroside is 578.27 g/mol.
Where can I buy Deacetylscilliroside?
You can request a quote for Deacetylscilliroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetylscilliroside?
Yes, KEHONG BIO provides custom synthesis services for Deacetylscilliroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.