Picroside I
TL;DR: Picroside I (CAS 136807-41-5) is a chemical compound with molecular formula C24H28O11 and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
Also Known As: Picroside I, Picroside, Globularicisin, PicrosideI, Amphicoside I
| Molecular Formula | C24H28O11 |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | -1.326 |
| Topological Polar Surface Area | 167.67 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.16315 |
| Heavy Atoms | 35 |
| Complexity | 967.47687 |
Chemical Identifiers
| CAS Number | 136807-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O |
Product Overview
Picroside I (CAS 136807-41-5), with molecular formula C24H28O11 and molecular weight 492.16 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Picroside I
Property Insights of Picroside I
The XLogP value of -1.326 indicates that Picroside I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.67 Ų indicates high polarity, suggesting Picroside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Picroside I has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Picroside I?
The CAS number of Picroside I is 136807-41-5.
What is the molecular formula of Picroside I?
The molecular formula of Picroside I is C24H28O11.
What is the molecular weight of Picroside I?
The molecular weight of Picroside I is 492.16 g/mol.
Where can I buy Picroside I?
You can request a quote for Picroside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picroside I?
Yes, KEHONG BIO provides custom synthesis services for Picroside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.