Asparanin C
Basic information
- CAS
83997-41-5- Standard SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
QLZSPAKBIBSDEQ-UHFFFAOYSA-N- Molecular formula
- C44H72O16
- Average molar mass
- 857 g/mol
- Monoisotopic mass
- 856.4820362
Names & identifiers
- Preferred name
- Asparanin C
- 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-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Names & synonyms
83997-41-5Asparanin CDTXSID601004257Spirostan-3-yl 6-deoxyhexopyranosyl-(1->6)-[pentopyranosyl-(1->4)]hexopyranosidebeta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-alpha-L-arabinopyranosyl-(1-4)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-6))-
Database identifiers
- CAS
83997-41-5- PubChem CID
- 158604
- DTXSID
DTXSID601004257
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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