Basic information
- Standard SMILES
CC(C)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)Cc1c(O)ccc2ccc(=O)oc12- InChIKey
NXXWVYSMCQDTBE-WAPYCARHSA-N- Molecular formula
- C20H26O10
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.15259703
Names & identifiers
- Preferred name
- 7-hydroxy-8-[(2R)-2-hydroxy-3-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]chromen-2-one
- IUPAC
- 7-hydroxy-8-[(2R)-2-hydroxy-3-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]chromen-2-one
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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