Basic information
- Standard SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12- InChIKey
OKOZVTRKRQJDAV-IKQCVBCTSA-N- Molecular formula
- C27H30O16
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 610.15338488
Names & identifiers
- Preferred name
- Kaempferol 3-b-laminaribioside
- IUPAC
- 3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Names & synonyms
Kaempferol 3-b-laminaribioside75836-21-4orb1992345AKOS040734397T1242633-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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