Asparanin D
Basic information
- CAS
83931-89-9- Standard SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
FFAHEGKVGQPZOA-UHFFFAOYSA-N- Molecular formula
- C50H82O21
- Average molar mass
- 1,019.2 g/mol
- Monoisotopic mass
- 1,018.53485962
Names & identifiers
- Preferred name
- Asparanin D
- IUPAC
- 2-[[4-hydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
- English name
- Asparanin D
- Molecular formula
- C50H82O21
- Molecular weight
- 1019.17348
Names & synonyms
83931-89-9Asparanin DSCHEMBL29531134DTXSID401004120beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-alpha-L-arabinopyranosyl-(1->4)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->6))-O-(beta-D-glucopyranosyl-(1->2))-spirostan-3-yl 6-deoxyhexopyranosyl-(1->6)-[hexopyranosyl-(1->2)]-[pentopyranosyl-(1->4)]hexopyranoside
Database identifiers
- CAS
83931-89-9- PubChem CID
- 158595
- DTXSID
DTXSID401004120
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 315 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 10
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,820
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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