swertisin 5-O-beta-D-glucoside
TL;DR: swertisin 5-O-beta-D-glucoside (CAS 73051-75-9) is a chemical compound with molecular formula C28H32O15 and molecular weight 608.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: swertisin 5-O-beta-D-glucoside, Swertisin 5-O-beta-D-glucopyranoside, J2.407.170G, 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5-(beta-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-7-methoxy-, 6-beta-D-Glucopyranosyl-5-(beta-D-glucopyranosyloxy)-4 -hydroxy-7-methoxyflavone
| Molecular Formula | C28H32O15 |
|---|---|
| Molecular Weight | 608.17 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 608.17413 |
| Heavy Atoms | 43 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 73051-75-9 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | KYPHSDLQACPEPC-OIKJNTNWSA-N |
Product Overview
swertisin 5-O-beta-D-glucoside (CAS 73051-75-9), with molecular formula C28H32O15 and molecular weight 608.17 g/mol. IUPAC: 2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of swertisin 5-O-beta-D-glucoside
Property Insights of swertisin 5-O-beta-D-glucoside
The XLogP value of -1.8 indicates that swertisin 5-O-beta-D-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting swertisin 5-O-beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, swertisin 5-O-beta-D-glucoside 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 swertisin 5-O-beta-D-glucoside?
The CAS number of swertisin 5-O-beta-D-glucoside is 73051-75-9.
What is the molecular formula of swertisin 5-O-beta-D-glucoside?
The molecular formula of swertisin 5-O-beta-D-glucoside is C28H32O15.
What is the molecular weight of swertisin 5-O-beta-D-glucoside?
The molecular weight of swertisin 5-O-beta-D-glucoside is 608.17 g/mol.
Where can I buy swertisin 5-O-beta-D-glucoside?
You can request a quote for swertisin 5-O-beta-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for swertisin 5-O-beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for swertisin 5-O-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.