Basic information
- Standard SMILES
C=C1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]12- InChIKey
KQYUGTYAOSWTGY-DZDDRJRQSA-N- Molecular formula
- C21H36O8
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.24101811
Names & identifiers
- Preferred name
- (2R,3S,4S,5S,6S)-2-[[(1S,2R,4aS,5S,8aS)-5-hydroxy-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5S,6S)-2-[[(1S,2R,4aS,5S,8aS)-5-hydroxy-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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