Pedicularioside H
TL;DR: Pedicularioside H (CAS 138989-16-9) is a chemical compound with molecular formula C36H48O19 and molecular weight 784.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Pedicularioside H, 1'-O-beta-D-(3-Methoxy-4-hydroxy-beta-phenyl)ethyl-4'-O-feruloyl-beta-D-apiosyl(1-3')-alpha-L-rhamnosyl-(1-6')-glucopyranoside, [4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, beta-D-Glucopyranoside, 2-(4-hydroxy-3-methoxyphenyl)ethyl O-D-apio-beta-D-furanosyl-(1-3)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-6))-, 4-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (E)-
| Molecular Formula | C36H48O19 |
|---|---|
| Molecular Weight | 784.28 g/mol |
| LogP | -1.945 |
| Topological Polar Surface Area | 282.21 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 784.279 |
| Heavy Atoms | 55 |
| Complexity | 1606.7526 |
Chemical Identifiers
| CAS Number | 138989-16-9 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)OC)O)OC4C(C(CO4)(CO)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)O)O)O |
Product Overview
Pedicularioside H (CAS 138989-16-9), with molecular formula C36H48O19 and molecular weight 784.28 g/mol. IUPAC: [4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Pedicularioside H
Property Insights of Pedicularioside H
The XLogP value of -1.945 indicates that Pedicularioside H is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 282.21 Ų indicates high polarity, suggesting Pedicularioside H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pedicularioside H has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pedicularioside H?
The CAS number of Pedicularioside H is 138989-16-9.
What is the molecular formula of Pedicularioside H?
The molecular formula of Pedicularioside H is C36H48O19.
What is the molecular weight of Pedicularioside H?
The molecular weight of Pedicularioside H is 784.28 g/mol.
Where can I buy Pedicularioside H?
You can request a quote for Pedicularioside H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pedicularioside H?
Yes, KEHONG BIO provides custom synthesis services for Pedicularioside H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.