Brandioside
TL;DR: Brandioside (CAS 133393-81-4) is a chemical compound with molecular formula C37H48O20 and molecular weight 812.27386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Brandioside, 2'-O-Acetylpoliumoside, [5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate, (beta-(3',4'-Dihydroxyphenyl)ethyl)-(2-O-acetyl)-(3,6-O-di-alpha-L-rhamnopyransoyl)-(4-O-caffeoyl)-beta-D-glucopyranoside, [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Technical Specifications
| Molecular Formula | C37H48O20 |
| Molecular Weight | 812.27386 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 310.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 812.27386 Da |
| Heavy Atoms | 57 |
| Complexity | 1320.0 |
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)OC(=O)C)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O |
| InChIKey | RIHCCESRYIALPG-UHFFFAOYSA-N |
Chemical Property Profile of Brandioside
Property Insights of Brandioside
The XLogP value of -1.0 indicates that Brandioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 310.0 Ų indicates high polarity, suggesting Brandioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brandioside has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Brandioside?
The CAS number of Brandioside is 133393-81-4.
What is the molecular formula of Brandioside?
The molecular formula of Brandioside is C37H48O20.
What is the molecular weight of Brandioside?
The molecular weight of Brandioside is 812.27386 g/mol.
Where can I buy Brandioside?
You can request a quote for Brandioside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brandioside?
Yes, CoreyChem provides custom synthesis services for Brandioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.