Gerberinside
Basic information
- CAS
76474-54-9- Standard SMILES
Cc1cccc2oc(=O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12- InChIKey
DXBGTODWNFZHCD-LMXXTMHSSA-N- Molecular formula
- C16H18O8
- Average molar mass
- 338.31 g/mol
- Monoisotopic mass
- 338.10016753
Overview
Gerberinside has been reported in Ethulia conyzoides, Acourtia cordata, and Gerbera jamesonii with data available.
Names & identifiers
- Preferred name
- Gerberinside
- IUPAC
- 5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
- English name
- gerberinside
- Molecular formula
- C16H18O8
- Molecular weight
- 338.30932
Names & synonyms
Gerberinside76474-54-95-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-oneDTXSID402272792H-1-Benzopyran-2-one, 4-(beta-D-glucopyranosyloxy)-5-methyl-5-methyl-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-2-oneRefChem:142992DTXCID90149770orb2279496AKOS040734390T1242565-Methyl-2-oxo-2H-1-benzopyran-4-yl beta-D-glucopyranoside
Database identifiers
- CAS
76474-54-9- PubChem CID
- 196468
- DTXSID
DTXSID40227279
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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