Structure Info
- Chemspace ID
- CSSS00161148738 (In-Stock Screening Compounds)
- 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,9R,10S,12aR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-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
- C64H104O30
- Mol weight
- 1354 Da
- Catalog Number(s)
- CSC161148738, NP-023278
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.45
- Heavy atoms count
- 94
- Rotatable bond count
- 16
- Number of rings
- 11
- Carbon bond saturation, Fsp3
- 0.953
- Polar surface area (Å)
- 472
- Hydrogen bond acceptors count
- 29
- Hydrogen bond donors count
- 17
- Zoom the structure
- CSSS00161148738
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, € | Qty |
|---|---|---|---|---|---|---|
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 90 | 1 mg | 273 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 90 | 2 mg | 342 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 90 | 5 mg | 548 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 90 | 10 mg | 893 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 90 | 20 mg | 1,433 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 90 | 25 mg | 1,682 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 90 | 50 mg | 2,847 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 90 | 100 mg | 5,691 | |
Description: CAS: 96315-53-6 | ||||||
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