Hastatuside A
Basic information
- Standard SMILES
Cc1cc(O)cc2oc(=O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12- InChIKey
NPDJLYQZNREONG-LMXXTMHSSA-N- Molecular formula
- C16H18O9
- Average molar mass
- 354.31 g/mol
- Monoisotopic mass
- 354.09508215
Overview
Hastatuside A has been reported in Rumex hastatus with data available.
Names & identifiers
- Preferred name
- Hastatuside A
- IUPAC
- 7-hydroxy-5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Names & synonyms
Hastatuside ADTXSID101349846
Database identifiers
- PubChem CID
- 102480464
- DTXSID
DTXSID101349846- Nikkaji
- J2.709.792H
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 536
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Related reactions
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Compound notes
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