Basic information
- Standard SMILES
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc12- InChIKey
AYSIYQZBMZTTTC-DCCCRPSOSA-N- Molecular formula
- C19H20O11
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.10056145
Names & identifiers
- Preferred name
- 4-methylumbelliferone 6'-O-malonylglucoside
- IUPAC
- 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methoxy]propanoic acid
Names & synonyms
4-methylumbelliferone 6'-O-malonylglucosideDTXSID501344717
Database identifiers
- PubChem CID
- 90657304
- DTXSID
DTXSID501344717
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 705
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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