Swertiamacroside
TL;DR: Swertiamacroside (CAS 128586-32-3) is a chemical compound with molecular formula C21H28O13 and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Swertiamacroside, 1-O-Caffeoyl-O-rutinose ester, 1-O-Caffeoyl-6-O-alpha-rhamnopyranosyl-beta-glycopyranoside, 3-butylidene-7-methoxy-2-benzofuran-1-one, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
| Molecular Formula | C21H28O13 |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | -2.6941 |
| Topological Polar Surface Area | 215.83 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.15298 |
| Heavy Atoms | 34 |
| Complexity | 876.2237 |
Chemical Identifiers
| CAS Number | 128586-32-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O)O |
Product Overview
Swertiamacroside (CAS 128586-32-3), with molecular formula C21H28O13 and molecular weight 488.15 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Swertiamacroside
Property Insights of Swertiamacroside
The XLogP value of -2.6941 indicates that Swertiamacroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.83 Ų indicates high polarity, suggesting Swertiamacroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Swertiamacroside has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Swertiamacroside?
The CAS number of Swertiamacroside is 128586-32-3.
What is the molecular formula of Swertiamacroside?
The molecular formula of Swertiamacroside is C21H28O13.
What is the molecular weight of Swertiamacroside?
The molecular weight of Swertiamacroside is 488.15 g/mol.
Where can I buy Swertiamacroside?
You can request a quote for Swertiamacroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Swertiamacroside?
Yes, KEHONG BIO provides custom synthesis services for Swertiamacroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.