Swertiapuniside
TL;DR: Swertiapuniside (CAS 143986-29-2) is a chemical compound with molecular formula C26H30O16 and molecular weight 598.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
Also Known As: Swertiapuniside, Swertia-puniside, J2.403.749E, 1,5,8-Trihydroxy-3-methoxyxanthone-8-O-beta-D-glucopyranosyl(1-6)-O-beta-D-glucopyranoside, 1,5,8-trihydroxy-3-methoxy-xanthone-8-O-beta-D-glucopyranosyl(1-6)-O-beta-D-glucopyranoside
| Molecular Formula | C26H30O16 |
|---|---|
| Molecular Weight | 598.15 g/mol |
| LogP | -2.6311 |
| Topological Polar Surface Area | 258.43 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 598.1534 |
| Heavy Atoms | 42 |
| Complexity | 1488.9161 |
Chemical Identifiers
| CAS Number | 143986-29-2 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O |
Product Overview
Swertiapuniside (CAS 143986-29-2), with molecular formula C26H30O16 and molecular weight 598.15 g/mol. IUPAC: 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one.
Chemical Property Profile of Swertiapuniside
Property Insights of Swertiapuniside
The XLogP value of -2.6311 indicates that Swertiapuniside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.43 Ų indicates high polarity, suggesting Swertiapuniside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Swertiapuniside has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Swertiapuniside?
The CAS number of Swertiapuniside is 143986-29-2.
What is the molecular formula of Swertiapuniside?
The molecular formula of Swertiapuniside is C26H30O16.
What is the molecular weight of Swertiapuniside?
The molecular weight of Swertiapuniside is 598.15 g/mol.
Where can I buy Swertiapuniside?
You can request a quote for Swertiapuniside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Swertiapuniside?
Yes, KEHONG BIO provides custom synthesis services for Swertiapuniside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.