Basic information
- Standard SMILES
CC(=O)OC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@@H]1O- InChIKey
DZZUKFUCKPKSOR-WRPWVSPJSA-N- Molecular formula
- C32H28O14
- Average molar mass
- 636.6 g/mol
- Monoisotopic mass
- 636.14790558
Names & identifiers
- Preferred name
- [(2S,3R,4S,5S,6S)-6-(acetyloxymethyl)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
- IUPAC
- [(2S,3R,4S,5S,6S)-6-(acetyloxymethyl)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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