Pedicularioside A

Base Information

• Chemical Name: Pedicularioside A
• CAS No.: 135010-61-6
• Molecular Formula: C34H44 O19
• Molecular Weight: 756.7
• Nikkaji Number: J445.349B
• Wikidata: Q104397629
• Mol file: 135010-61-6.mol

Synonyms:1-O-beta-(3,4-dihydroxy-beta-phenyl)ethyl-4'-caffeoyl-beta-apiosyl(1-3')-alpha-rhamnosyl(1-6')glucopyranoside;pedicularioside A

Chemical Property of Pedicularioside A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1040.3°Cat760mmHg
• Flash Point: 323.9°C
• PSA: 304.21000
• Density: 1.65g/cm³
• LogP: -2.55100
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 14
• Exact Mass: 756.24767917
• Heavy Atom Count: 53
• Complexity: 1190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(CO4)(CO)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O
• Isomeric 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