7-Acetyl-3,8-dihydroxy-6-methylnaphthalen-1-yl hexopyranoside
Basic information
- CAS
23566-96-3- Standard SMILES
CC(=O)c1c(C)cc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2c1O- InChIKey
VJDBDVUFFPRHSF-UHFFFAOYSA-N- Molecular formula
- C19H22O9
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.12638228
Overview
6-Hydroxymusizin 8-O-b-D-glucopyranoside is a glycoside.
Names & identifiers
- Preferred name
- 7-Acetyl-3,8-dihydroxy-6-methylnaphthalen-1-yl hexopyranoside
- IUPAC
- 1-[1,6-dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
- English name
- 2-Acetyl-3-methyl-8-(β-D-glucopyranosyloxy)-1,6-naphthalenediol
- Molecular formula
- C19H22O9
- Molecular weight
- 394.37
Names & synonyms
DTXSID309463467-Acetyl-3,8-dihydroxy-6-methylnaphthalen-1-yl hexopyranosideRefChem:1074346DTXCID701374635MUSIZIN GLUCOSIDE, 6-HYDROXY23566-96-36-Hydroxymusizin 8-O-b-D-glucopyranoside2-Acetyl-3-methyl-8-(beta-D-glucopyranosyloxy)-1,6-naphthalenediolNSC-362402CHEBI:172629NSC3624021-[1,6-dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Show more names
Tinnevellin glucoside6-hydroxymusizin-8-O-β-D-glucopyranoside6-Hydroxymusizin 8-glucoside7-Acetyl-3,8-dihydroxy-6-methyl-1-naphtyl β-D-glucopyranoside2-Acetyl-3-methyl-8-(β-D-glucopyranosyloxy)-1,6-naphthalenediol1-[8-(β-D-Glucopyranosyloxy)-1,6-dihydroxy-3-methyl-2-naphtyl]ethanone1-[8-(-D-glucopyranosyloxy)-1,6-dihydro-3-methyl- 2-naphthalenyl] ethanoneEthanone, 1-[8-(β-D-glucopyranosyloxy)-1,6-dihydroxy-3-methyl-2-naphthalenyl]-
DS-0108692-Acetyl-3-methyl-8-(|_-D-glucopyranosyloxy)-1,6-naphthalenediolEthanone, 1-[8-(b-d-glucopyranosyloxy)-1,6-dihydroxy-3-methyl-2-naphthalenyl]-
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 558
Experimental & physicochemical properties
Melting Point214 - 215 °C
Physical DescriptionSolid
Physicochemical properties
- InChI
- InChI=1/C19H22O9/c1-7-3-9-4-10(22)5-11(14(9)16(24)13(7)8(2)21)27-19-18(26)17(25)15(23)12(6-20)28-19/h3-5,12,15,17-20,22-26H,6H2,1-2H3/t12-,15-,17+,18-,19-/s3
- InChIKey
- VJDBDVUFFPRHSF-YOLHSLQUNA-N
- SMILES
- C(=O)(C1=C(C)C=C2C(=C1O)C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=CC(O)=C2)C |&1:12,13,15,17,19,r|
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesTinnevellin Glucoside is a benzophenone glucoside used primarily as a laxative medicine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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