3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide
Basic information
- CAS
468-15-5- Standard SMILES
CC12CCC3C(CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1- InChIKey
CFPNJUAQPQFPOD-UHFFFAOYSA-N- Molecular formula
- C29H40O10
- Average molar mass
- 548.6 g/mol
- Monoisotopic mass
- 548.26214747
Names & identifiers
- Preferred name
- 3-(Hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolide
- IUPAC
- 14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
3-(hexopyranosyloxy)-14-hydroxy-19-oxocarda-5,20(22)-dienolideDTXSID40963660
Database identifiers
- CAS
468-15-5- PubChem CID
- 120692
- DTXSID
DTXSID40963660
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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