Pedicularioside A
TL;DR: Pedicularioside A (CAS 135010-61-6) is a chemical compound with molecular formula C34H44O19 and molecular weight 756.2477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Pedicularioside A, SID:163563843, 1-O-beta-(3,4-Dihydroxy-beta-phenyl)ethyl-4'-caffeoyl-beta-apiosyl(1-3')-alpha-rhamnosyl(1-6')glucopyranoside, 2-hydroxyspirostan-3-yl 6-deoxyhexopyranosyl-(1, [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Technical Specifications
| Molecular Formula | C34H44O19 |
| Molecular Weight | 756.2477 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 756.2477 Da |
| Heavy Atoms | 53 |
| Complexity | 1190.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O |
| InChIKey | DBGPKDZQZSWQHV-ZOOOYETHSA-N |
Chemical Property Profile of Pedicularioside A
Property Insights of Pedicularioside A
The XLogP value of -1.7 indicates that Pedicularioside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.0 Ų indicates high polarity, suggesting Pedicularioside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pedicularioside A has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pedicularioside A?
The CAS number of Pedicularioside A is 135010-61-6.
What is the molecular formula of Pedicularioside A?
The molecular formula of Pedicularioside A is C34H44O19.
What is the molecular weight of Pedicularioside A?
The molecular weight of Pedicularioside A is 756.2477 g/mol.
Where can I buy Pedicularioside A?
You can request a quote for Pedicularioside A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pedicularioside A?
Yes, CoreyChem provides custom synthesis services for Pedicularioside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.