(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R,5R,6S)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aR,5R,6aS,6bR,10S,12aR,14bS)-10-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Structure Info
- Chemspace ID
- CSSS00159279123 (In-Stock Screening Compounds)
- IUPAC Name
- (2S,3R,4S,5S,6R)-3-{[(2S,3R,4R,5R,6S)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aR,5R,6aS,6bR,10S,12aR,14bS)-10-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-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
- C74H120O39
- Mol weight
- 1634 Da
- Catalog Number(s)
- CSC159279123, NP-006586, T125199
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -5.73
- Heavy atoms count
- 113
- Rotatable bond count
- 20
- Number of rings
- 13
- Carbon bond saturation, Fsp3
- 0.959
- Polar surface area (Å)
- 610
- Hydrogen bond acceptors count
- 38
- Hydrogen bond donors count
- 22
- Zoom the structure
- CSSS00159279123
Items Overall 10 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 1 mg | 339.90 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 2 mg | 425.70 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 5 mg | 682.00 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 10 mg | 1,111.00 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 15 mg | 1,446.50 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 20 mg | 1,784.20 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 25 mg | 2,093.30 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 30 mg | 2,403.50 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 50 mg | 3,544.20 | |
| AnalytiCon Discovery GmbH | 15 days | Germany To: | 85 | 100 mg | 7,084.00 | |
Description: CAS: 253123-52-3 | ||||||
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