Structure Info
- Chemspace ID
- CSSS09881015830 (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,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-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
- C59H96O26
- Mol weight
- 1221 Da
- Catalog Number(s)
- ArZ-UP483721, CFN95354, TN7351, Y230759, ZX-CY005497
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.31
- Heavy atoms count
- 85
- Rotatable bond count
- 14
- Number of rings
- 10
- Carbon bond saturation, Fsp3
- 0.949
- Polar surface area (Å)
- 413
- Hydrogen bond acceptors count
- 25
- Hydrogen bond donors count
- 15
- Zoom the structure
- CSSS09881015830
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