7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-4-hydroxy-
Basic information
- CAS
74608-59-6- Standard SMILES
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1Cc2c(cc3oc(=O)ccc3c2O)O1- InChIKey
JMWIRXQFQXREAB-BGARTESOSA-N- Molecular formula
- C20H24O10
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.13694696
Overview
7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-4-hydroxy- has been reported in Apium graveolens with data available.
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-4-hydroxy-
- IUPAC
- 4-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Names & synonyms
74608-59-6Celerioside7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-4-hydroxy-SCHEMBL29934515DTXSID009961162-(4-Hydroxy-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl)propan-2-yl beta-D-glucopyranoside2-(4-Hydroxy-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl)propan-2-yl hexopyranoside
Database identifiers
- CAS
74608-59-6- PubChem CID
- 5488592
- DTXSID
DTXSID00996116
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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