Cascaroside
TL;DR: Cascaroside (CAS 50814-04-5) is a chemical compound with molecular formula C27H32O14 and molecular weight 580.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
Also Known As: Cascaroside, Cascaroside A, Aloin 8-O-beta-D-glucopyranoside, 8-O-(beta-D-Glucopyranosyl)barbaloins, (1S)-1,5-Anhydro-1-[5-(beta-D-glucopyranosyloxy)-4-hydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol
| Molecular Formula | C27H32O14 |
|---|---|
| Molecular Weight | 580.18 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 580.1792 |
| Heavy Atoms | 41 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 50814-04-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)CO |
| InChIKey | MNAYRSRTNMVAPR-JTPSZFOFSA-N |
Product Overview
Cascaroside (CAS 50814-04-5), with molecular formula C27H32O14 and molecular weight 580.18 g/mol. IUPAC: 1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one.
Chemical Property Profile of Cascaroside
Property Insights of Cascaroside
The XLogP value of -1.9 indicates that Cascaroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting Cascaroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cascaroside has 10 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 Cascaroside?
The CAS number of Cascaroside is 50814-04-5.
What is the molecular formula of Cascaroside?
The molecular formula of Cascaroside is C27H32O14.
What is the molecular weight of Cascaroside?
The molecular weight of Cascaroside is 580.18 g/mol.
Where can I buy Cascaroside?
You can request a quote for Cascaroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cascaroside?
Yes, KEHONG BIO provides custom synthesis services for Cascaroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.