Basic information
- Standard SMILES
CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H](O)CC1- InChIKey
YFLZJBSUUWZAOW-PMFOAENNSA-N- Molecular formula
- C24H42O11
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.27271216
Overview
Foliasalacioside I has been reported in Salacia chinensis with data available.
Names & identifiers
- Preferred name
- (2R,3R,4S,5S,6R)-2-[(2R)-4-[(5R)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2R)-4-[(5R)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Database identifiers
- Nikkaji
- J2.571.185H
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 728
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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