5''-O-Syringoylkelampayoside A

Base Information

• Chemical Name: 5''-O-Syringoylkelampayoside A
• CAS No.: 1014974-98-1
• Molecular Formula: C29H38O17
• Molecular Weight: 658.6
• Wikidata: Q105136558
• ChEMBL ID: CHEMBL1076765
• Mol file: 1014974-98-1.mol

Synonyms:5''-O-Syringoylkelampayoside A;1014974-98-1;[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate;beta-D-Glucopyranoside, 3,4,5-trimethoxyphenyl 6-O-[5-O-(4-hydroxy-3,5-dimethoxybenzoyl)-D-apio-beta-D-furanosyl]-;CHEMBL1076765;5/'/'-O-Syringoylkelampayoside A;AKOS022184884;FS-9453;3,4,5-Trimethoxyphenyl 6-O-[5-O-(4-hydroxy-3,5-dimethoxybenzoyl)-D-apio--D-furanosyl]--D-glucopyranoside

Chemical Property of 5''-O-Syringoylkelampayoside A

Chemical Property:

• Boiling Point: 868.3±65.0 °C(Predicted)
• PKA: 8.23±0.25(Predicted)
• PSA: 230.75000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: -1.05650
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 14
• Exact Mass: 658.21089974
• Heavy Atom Count: 46
• Complexity: 931

Purity/Quality:

98% ^*data from raw suppliers

5''-O-SyringoylkelampayosideA 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OCC2(COC(C2O)OCC3C(C(C(C(O3)OC4=CC(=C(C(=C4)OC)OC)OC)O)O)O)O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OC[C@]2(CO[C@H]([C@@H]2O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC4=CC(=C(C(=C4)OC)OC)OC)O)O)O)O