Basic information
- Standard SMILES
O=C(CCc1ccc2occc2c1)c1c(O)cccc1OC1OC(CO)C(O)C(O)C1O- InChIKey
ZKBXROQWLPBHFI-UHFFFAOYSA-N- Molecular formula
- C23H24O9
- Average molar mass
- 444.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-Benzofuran-5-yl)-1-[2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
- IUPAC
- 3-(1-benzofuran-5-yl)-1-[2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
Database identifiers
- PubChem CID
- 18942016
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 631
Related reactions
1 records
Compound notes
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