Curculigine A
Basic information
- CAS
110945-82-9- Standard SMILES
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c(C)c1Cl- InChIKey
XBVNHJLYWKRWAX-RPDXMDMVSA-N- Molecular formula
- C20H28Cl2O12
- Average molar mass
- 531.3 g/mol
- Monoisotopic mass
- 530.0957817
Names & identifiers
- Preferred name
- Curculigine A
- IUPAC
- (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-(2,4-dichloro-5-methoxy-3-methylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
110945-82-9Curculigine ACurculigin ADTXSID409119092,4-Dichloro-5-methoxy-3-methylphenyl 6-O-hexopyranosylhexopyranoside2,4-Dichloro-5-methoxy-3-methylphenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Database identifiers
- CAS
110945-82-9- PubChem CID
- 183146
- DTXSID
DTXSID40911909
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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