Picroside II
TL;DR: Picroside II (CAS 39012-20-9) is a chemical compound with molecular formula C23H28O13 and molecular weight 512.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate
Also Known As: Picroside II, Amphicoside, Picroside, PicrosideII, Picroside-II
| Molecular Formula | C23H28O13 |
|---|---|
| Molecular Weight | 512.15 g/mol |
| LogP | -2.0114 |
| Topological Polar Surface Area | 197.13 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.153 |
| Heavy Atoms | 36 |
| Complexity | 1013.72217 |
Chemical Identifiers
| CAS Number | 39012-20-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O |
Product Overview
Picroside II (CAS 39012-20-9), with molecular formula C23H28O13 and molecular weight 512.15 g/mol. IUPAC: [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Picroside II
Property Insights of Picroside II
The XLogP value of -2.0114 indicates that Picroside II is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.13 Ų indicates high polarity, suggesting Picroside II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Picroside II has 6 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 Picroside II?
The CAS number of Picroside II is 39012-20-9.
What is the molecular formula of Picroside II?
The molecular formula of Picroside II is C23H28O13.
What is the molecular weight of Picroside II?
The molecular weight of Picroside II is 512.15 g/mol.
Where can I buy Picroside II?
You can request a quote for Picroside II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picroside II?
Yes, KEHONG BIO provides custom synthesis services for Picroside II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.