4-(beta-D-Glucopyranosyloxy)-3-(2-phenylethyl)benzo[b]-thiophene
Basic information
- Standard SMILES
OC[C@H]1O[C@@H](Oc2cccc3scc(CCc4ccccc4)c23)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
QEXCLXZMKFAFPZ-RECXWPGBSA-N- Molecular formula
- C22H24O6S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.12935965
Names & identifiers
- Preferred name
- 4-(beta-D-Glucopyranosyloxy)-3-(2-phenylethyl)benzo[b]-thiophene
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-phenylethyl)-1-benzothiophen-4-yl]oxy]oxane-3,4,5-triol
Names & synonyms
SCHEMBL1728005QEXCLXZMKFAFPZ-RECXWPGBSA-N4-(beta-D-Glucopyranosyloxy)-3-(2-phenylethyl)benzo[b]-thiophene
Database identifiers
- PubChem CID
- 67136252
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 516
Related reactions
1 records
Compound notes
Loading…