Basic information
- CAS
4336-94-1- Standard SMILES
CC1O[C@@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)C(O)C(O)[C@@H]1O- InChIKey
HULMNSIAKWANQO-RMBZBVRKSA-N- Molecular formula
- C29H42O10
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.27779753
Names & identifiers
- Preferred name
- Strophanthidin 6-deoxyglucoside
- IUPAC
- (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
Strophanthidin 6-deoxyglucosideCard-20(22)-enolide, 3-((6-deoxy-beta-D-gulopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-RefChem:186113Deglucocheirotoxin(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehydeCheirotoxin, degluco-3-beta-((6-Deoxy-beta-D-allopyranosyl)oxy)-5-beta,14-dihydroxy-19-oxocard-20(22)-enolideCard-20(22)-enolide, 3-((6-deoxy-beta-D-allopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-3beta-[(6-Deoxy-beta-D-allopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-beta-glucopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
Database identifiers
- CAS
4336-94-1、5822-57-1- PubChem CID
- 20341
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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