Structure Info
- Chemspace ID
- CSSS02125607705 (In-Stock Screening Compounds)
- MFCD
- MFCD34470905
- IUPAC Name
- (2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-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
- C59H96O27
- Mol weight
- 1237 Da
- Catalog Number(s)
- AA01DDCK, AG01DDFC, AR01DE4C, ArZ-UP481350, BD01108137, CFN91043, E88754, HY-N8116, TN1857, Y230706, Y4000652, ZX-CY003126, ZXC273175
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.36
- Heavy atoms count
- 86
- Rotatable bond count
- 15
- Number of rings
- 10
- Carbon bond saturation, Fsp3
- 0.949
- Polar surface area (Å)
- 433
- Hydrogen bond acceptors count
- 26
- Hydrogen bond donors count
- 16
- Zoom the structure
- CSSS02125607705
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