Structure Info
- Chemspace ID
- CSSS00159262950 (In-Stock Screening Compounds)
- IUPAC Name
- (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
- Mol formula
- C36H58O10
- Mol weight
- 651 Da
- Catalog Number(s)
- AG00F5I7, ArZ-UP479903, BBP04490, CFN89144, CSC159262950, FS-6864, HY-N8872, X212065, Y3292575, ZX-CY001679
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.97
- Heavy atoms count
- 46
- Rotatable bond count
- 5
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.916
- Polar surface area (Å)
- 177
- Hydrogen bond acceptors count
- 9
- Hydrogen bond donors count
- 7
- Zoom the structure
- CSSS00159262950
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