Basic information
- CAS
6877-82-3- Standard SMILES
CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O- InChIKey
CMHWMOGWFZWDMR-UHFFFAOYSA-N- Molecular formula
- C29H44O9
- Average molar mass
- 536.7 g/mol
- Monoisotopic mass
- 536.29853298
Overview
Desglucouzarin has been reported in Gomphocarpus sinaicus, Xysmalobium undulatum, and other organisms with data available.
Names & identifiers
- Preferred name
- Desglucouzarin
- IUPAC
- 3-[14-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
Desglucouzarin6877-82-33-(Hexopyranosyloxy)-14-hydroxycard-20(22)-enolideDESGLUCOUZARIN K015DTXSID00313788NSC277288NSC-277288
Database identifiers
- CAS
6877-82-3- PubChem CID
- 321971
- DTXSID
DTXSID00313788- ChEMBL
CHEMBL449767
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 970
Experimental & physicochemical properties
LogP-0.64
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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