Basic information
- CAS
11025-83-5- Standard SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
UBMCTHWOOSUTHL-UHFFFAOYSA-N- Molecular formula
- C45H74O17
- Average molar mass
- 887.1 g/mol
- Monoisotopic mass
- 886.49260089
Overview
Desglucoparillin is a steroid saponin.
Names & identifiers
- Preferred name
- Deglucoparillin
- IUPAC
- 2-[4,5-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Names & synonyms
DesglucoparillinDeglucoparillinNSC104793CHEBI:197082NSC-1047932-[4,5-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Database identifiers
- CAS
11025-83-5- PubChem CID
- 418709
- ChEBI
CHEBI:197082
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,560
Experimental & physicochemical properties
Melting Point250 - 265 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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