Basic information
- Standard SMILES
COc1cc(CCCO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O[C@@H](CO)[C@H](O)c1cc(OC)c(O)c(OC)c1- InChIKey
RDQCMSSPFVKWMK-FMBJGOALSA-N- Molecular formula
- C27H38O12
- Average molar mass
- 554.6 g/mol
- Monoisotopic mass
- 554.23632666
Names & identifiers
- Preferred name
- (2R,3R,4R,5R,6S)-2-[3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-methyloxane-3,4,5-triol
- IUPAC
- (2R,3R,4R,5R,6S)-2-[3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-methyloxane-3,4,5-triol
Database identifiers
- Nikkaji
- J409.150G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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