Structure Info
- Chemspace ID
- CSSS00159261887 (In-Stock Screening Compounds)
- IUPAC Name
- (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
- Mol formula
- C47H74O19
- Mol weight
- 943 Da
- Catalog Number(s)
- ArZ-UP483505, CFN95138, CSC159261887, FS-8250, X217122, ZX-CY005281
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.58
- Heavy atoms count
- 66
- Rotatable bond count
- 9
- Number of rings
- 8
- Carbon bond saturation, Fsp3
- 0.914
- Polar surface area (Å)
- 312
- Hydrogen bond acceptors count
- 18
- Hydrogen bond donors count
- 11
- Zoom the structure
- CSSS00159261887
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