hydrangenol 8-O-glucoside

Base Information

• Chemical Name: hydrangenol 8-O-glucoside
• CAS No.: 67600-94-6
• Molecular Formula: C21H22O9
• Molecular Weight: 418.4
• ChEMBL ID: CHEMBL394399
• DSSTox Substance ID: DTXSID001136569
• Metabolomics Workbench ID: 133446
• Nikkaji Number: J673.804D
• Wikidata: Q27136625
• Mol file: 67600-94-6.mol

Synonyms:hydrangenol 8-O-glucoside;67600-94-6;Hydrangel 8-O-glucoside;CHEBI:68133;hydrangenol 8-O-beta-D-glucopyranoside;3-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one;CHEMBL394399;DTXSID001136569;HY-N4027;Hydrangenol 8-O--D-glucopyranoside;AKOS032948777;FS-8948;CS-0024476;Q27136625;3-(4-Hydroxyphenyl)-1-oxo-3,4-dihydro-1H-isochromen-8-yl beta-D-glucopyranoside;8-(beta-D-Glucopyranosyloxy)-3,4-dihydro-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one

Chemical Property of hydrangenol 8-O-glucoside

Chemical Property:

• PSA: 145.91000
• LogP: 0.02510
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 418.12638228
• Heavy Atom Count: 30
• Complexity: 593

Purity/Quality:

98%min ^*data from raw suppliers

Hydrangenol8-O-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(=O)C2=C1C=CC=C2OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
• Isomeric SMILES: C1C(OC(=O)C2=C1C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O