Phlinoside B

Base Information

• Chemical Name: Phlinoside B
• CAS No.: 129097-46-7
• Molecular Formula: C34H44 O19
• Molecular Weight: 756.7018
• DSSTox Substance ID: DTXSID00904211
• Nikkaji Number: J294.487A
• Wikidata: Q82873452
• Metabolomics Workbench ID: 143833
• Mol file: 129097-46-7.mol

Synonyms:3,4-dihydroxy-beta phenylethoxy-O-beta-xylopyranosyl-(1-2)-alpha-rhamnopyranosyl-(1-3)-4-O-caffeoyl-beta-glucopyranoside;phlinoside B

Chemical Property of Phlinoside B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1030.8°Cat760mmHg
• Flash Point: 320.9°C
• PSA: 304.21000
• Density: 1.65g/cm³
• LogP: -2.55260
• XLogP3: -2
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 13
• Exact Mass: 756.24767917
• Heavy Atom Count: 53
• Complexity: 1180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)OC5C(C(C(CO5)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O