(2S,3R,4S)-3-ethenyl-4-[2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
Structure Info
- Chemspace ID
- CSSB06744556005 (In-Stock Building Blocks)
- IUPAC Name
- (2S,3R,4S)-3-ethenyl-4-[2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
- Mol formula
- C30H40O18
- Mol weight
- 689 Da
- Catalog Number(s)
- ACM469899556, AKOS040734883, ArZ-UP483732, CFN95365, FS-8440, T124818, TX024Y20, X217126, ZX-CY005508
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.26
- Heavy atoms count
- 48
- Rotatable bond count
- 14
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.6
- Polar surface area (Å)
- 281
- Hydrogen bond acceptors count
- 17
- Hydrogen bond donors count
- 9
![Chemical structure of (2S,3R,4S)-3-ethenyl-4-[2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid (C30H40O18) - CSSB06744556005](/st/structure/200/c287db41d527046e2940e0c8b783a2d6/COc1cc%2528ccc1O%255BC%2540%2540H%255D1O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D1O%2529C%2528%253DO%2529OCC%255BC%2540H%255D1%255BC%2540%2540H%255D%2528C%253DC%2529%255BC%2540H%255D%2528O%255BC%2540%2540H%255D2O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D2O%2529OC%253DC1C%2528O%2529%253DO.png "C30H40O18")
- Zoom the structure
- CSSB06744556005
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Advanced ChemBlocks CN | 20 days | China To: | 98 | 5 mg | 390.00 | |
| Advanced ChemBlocks CN | 20 days | China To: | 98 | 25 mg | 1,170.00 | |
| Advanced ChemBlocks CN | 20 days | China To: | 98 | 100 mg | 3,040.00 | |
Description: 7-O-(4-beta-D-glucopyranosyloxy-3-methoxybenzoyl)secologanolic acid; CAS: 469899-55-6 | ||||||
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Similarity Analogs
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