Structure Info
- Chemspace ID
- CSCS00159280674 (Synthesis)
- IUPAC Name
- (2S,3S,4S,5R,6R)-6-{[(3S,4S,6aR,6bS,8aS,12aS,14bR)-8a-({[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-4-(hydroxymethyl)-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-icosahydropicen-3-yl]oxy}-5-{[(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}-3,4-dihydroxyoxane-2-carboxylic acid
- Mol formula
- C66H106O32
- Mol weight
- 1412 Da
- Catalog Number(s)
- CSC159280674, NP-019689
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.35
- Heavy atoms count
- 98
- Rotatable bond count
- 17
- Number of rings
- 11
- Carbon bond saturation, Fsp3
- 0.939
- Polar surface area (Å)
- 509
- Hydrogen bond acceptors count
- 31
- Hydrogen bond donors count
- 18
- Zoom the structure
- CSCS00159280674
Items Overall 1 item from 1 supplier
Supplier | Lead time | Ships from | Purity | Pack | Price, € | Qty |
---|---|---|---|---|---|---|
AnalytiCon Discovery GmbH | 49 days | Germany To: | 90 | 1 mg | POA |
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