Structure Info
- Chemspace ID
- CSSS06256040034 (In-Stock Screening Compounds)
- IUPAC Name
- (1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,9,13-trimethyl-6-[(3R)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-10-one
- Mol formula
- C51H82O24
- Mol weight
- 1079 Da
- Catalog Number(s)
- ArZ-UP481130, CFN90822, ZX-CY002906
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -3.5
- Heavy atoms count
- 75
- Rotatable bond count
- 16
- Number of rings
- 9
- Carbon bond saturation, Fsp3
- 0.941
- Polar surface area (Å)
- 383
- Hydrogen bond acceptors count
- 24
- Hydrogen bond donors count
- 14
- Zoom the structure
- CSSS06256040034
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