(2S,3S,4S,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
Basic information
- Standard SMILES
COc1cc(/C=C/CO[C@@H]2O[C@@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)ccc1O- InChIKey
KMVCKNBQSQYJHC-JVJPLZHYSA-N- Molecular formula
- C21H30O12
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.1737264
Names & identifiers
- Preferred name
- (2S,3S,4S,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
- IUPAC
- (2S,3S,4S,5S,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 634
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