Basic information
- CAS
6014-43-3- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1- InChIKey
UWXGONCJXIMJRE-BETXHDQMSA-N- Molecular formula
- C29H42O11
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.27271215
Overview
Glucostrophanthidin has been reported in Erysimum pulchellum with data available.
Names & identifiers
- Preferred name
- Glucostrophanthidin
- IUPAC
- (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
GlucostrophanthidinRefChem:1085860(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-10-carbaldehydeStrophanthidin-D-glucoseStrophanthyl beta-D-glucosideStrophanthidin-D-glucose [German]6014-43-3Strophanthidin, 3-beta-D-glucoside5,14-Dihydroxy-3-beta-((D-glucopyranosyl)oxy)-19-oxo-5-beta-card-20(22)-enolide5-beta-Card-20(22)-enolide, 5,14-dihydroxy-3-beta-((D-glucopyranosyl)oxy)-19-oxo-
Database identifiers
- CAS
6014-43-3- PubChem CID
- 133065415
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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