Basic information
- Standard SMILES
C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
PKKUTJOKYCMKKA-JESFGDARSA-N- Molecular formula
- C27H34O15
- Average molar mass
- 598.5 g/mol
- Monoisotopic mass
- 598.18977039
Names & identifiers
- Preferred name
- (2R,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
- IUPAC
- (2R,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 882
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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