Basic information
- Standard SMILES
C[C@H](C(=O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(C(=O)c2ccccc2)c1- InChIKey
AOKPPWBWHHQDCN-LXVIWDKHSA-N- Molecular formula
- C28H34O13
- Average molar mass
- 578.6 g/mol
- Monoisotopic mass
- 578.19994115
Names & identifiers
- Preferred name
- [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (2S)-2-(3-benzoylphenyl)propanoate
- IUPAC
- [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (2S)-2-(3-benzoylphenyl)propanoate
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 866
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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