Basic information
- Standard SMILES
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]21C=C([C@H](C)OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O1- InChIKey
HCLFGZGORFPVLX-UAVQHEAGSA-N- Molecular formula
- C30H32O15
- Average molar mass
- 632.6 g/mol
- Monoisotopic mass
- 632.17412032
Names & identifiers
- Preferred name
- methyl (1R,4aS,7R,7aS)-4'-[(1S)-1-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]ethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
- IUPAC
- methyl (1R,4aS,7R,7aS)-4'-[(1S)-1-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]ethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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