Verbascoside
TL;DR: Verbascoside (CAS 166019-50-7) is a chemical compound with molecular formula C29H36O15 and molecular weight 624.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Verbascoside, beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate], I(2)-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-I+/--L-mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]
| Molecular Formula | C29H36O15 |
|---|---|
| Molecular Weight | 624.21 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 624.20544 |
| Heavy Atoms | 44 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 166019-50-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O |
| InChIKey | FBSKJMQYURKNSU-QJDQKFITSA-N |
Product Overview
Verbascoside (CAS 166019-50-7), with molecular formula C29H36O15 and molecular weight 624.21 g/mol. IUPAC: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Verbascoside
Property Insights of Verbascoside
The XLogP value of -0.5 indicates that Verbascoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting Verbascoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Verbascoside has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Verbascoside?
The CAS number of Verbascoside is 166019-50-7.
What is the molecular formula of Verbascoside?
The molecular formula of Verbascoside is C29H36O15.
What is the molecular weight of Verbascoside?
The molecular weight of Verbascoside is 624.21 g/mol.
Where can I buy Verbascoside?
You can request a quote for Verbascoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verbascoside?
Yes, KEHONG BIO provides custom synthesis services for Verbascoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.