1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl-

Base Information

• Chemical Name: 1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl-
• CAS No.: 17004-75-0
• Molecular Formula: C₁₆H₂₂O₉
• Molecular Weight: 358.345
• ChEMBL ID: CHEMBL456751
• DSSTox Substance ID: DTXSID501225064
• Metabolomics Workbench ID: 135548
• Nikkaji Number: J2.251.241B
• Wikidata: Q105214085

Synonyms:CHEMBL456751;17004-75-0;1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl-;Compound NP-023002;DTXSID501225064;BDBM50269661;AKOS040735588;1-(2-Methylpropanoyl)-phloroglucinol-glucopyranoside;1-(2-Methylpropanoyl)phloroglucinol glucopyranoside;1-[2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl-1-propanone

Chemical Property of 1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl-

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 358.12638228
• Heavy Atom Count: 25
• Complexity: 457

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O
• Isomeric SMILES: CC(C)C(=O)C1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

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