Basic information
- CAS
228405-06-9- Standard SMILES
COc1cc(C(=O)OC[C@@]2(O)CO[C@@H](O[C@H]3[C@H](Oc4ccc(C(C)=O)cc4)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2O)cc(OC)c1O- InChIKey
DPDBFIMFRJQAKL-SBYRWZHCSA-N- Molecular formula
- C28H34O15
- Average molar mass
- 610.6 g/mol
- Monoisotopic mass
- 610.18977037
Names & identifiers
- Preferred name
- [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
- IUPAC
- [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
Names & synonyms
DTXSID801107768228405-06-9Ethanone, 1-[4-[[2-O-[5-O-(4-hydroxy-3,5-dimethoxybenzoyl)-D-apio-I(2)-D-furanosyl]-I(2)-D-glucopyranosyl]oxy]phenyl]-
Database identifiers
- CAS
228405-06-9- PubChem CID
- 10722425
- DTXSID
DTXSID801107768- Nikkaji
- J1.123.578F
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 914
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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