4-(2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
Structure Info
- Chemspace ID
- CSSB00159267396 (In-Stock Building Blocks)
- CAS
- 61186-24-1
- MFCD
- MFCD20274719
- IUPAC Name
- 4-(2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
- Mol formula
- C25H30O13
- Mol weight
- 539 Da
- Catalog Number(s)
- AD275270, AG150103, CSC159267396, LCA18624
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.4
- Heavy atoms count
- 38
- Rotatable bond count
- 11
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.44
- Polar surface area (Å)
- 213
- Hydrogen bond acceptors count
- 12
- Hydrogen bond donors count
- 7
![Chemical structure of 4-(2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid (C25H30O13) - CSSB00159267396](/st/structure/200/b508120a0ffd83e1d0fbd62889e001c5/OCC1OC%2528OC2OC%253DC%2528C%2528CCOC%2528%253DO%2529C%253DCC3%253DCC%253DC%2528O%2529C%2528O%2529%253DC3%2529C2C%253DC%2529C%2528O%2529%253DO%2529C%2528O%2529C%2528O%2529C1O.png "C25H30O13")
- Zoom the structure
- CSSB00159267396
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Advanced ChemBlocks CN | 10 days | China To: | 97 | 5 mg | 1,000.00 | |
Description: Grandifloroside; CAS: 61186-24-1 | ||||||
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Substructure Analogs
![Chemical structure of (2S,3R,4S)-4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)-3-ethenyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid - CSSB00137410230](/st/structure/200/1190339081ff682a9ee60534cc87ede2/OC%255BC%2540H%255D1O%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2OC%253DC%2528%255BC%2540%2540H%255D%2528CCOC%2528%253DO%2529%255CC%253DC%255CC3%253DCC%253DC%2528O%2529C%2528O%2529%253DC3%2529%255BC%2540H%255D2C%253DC%2529C%2528O%2529%253DO%2529%255BC%2540H%255D%2528O%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540%2540H%255D1O.png)
Similarity Analogs
![Chemical structure of (1S,4aS,5R,7aS)-5-hydroxy-7-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid - CSSB09881015896](/st/structure/200/85dcf7743b08c24d23f3a5ee92ea5e3e/COC1%253DCC%2528%255CC%253DC%255CC%2528%253DO%2529OCC2%253DC%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D3%255BC%2540%2540H%255D2%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%253DC3C%2528O%2529%253DO%2529%253DCC%253DC1O.png)
![Chemical structure of (1S,4aS,7S,7aS)-7-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid - CSSB00159261942](/st/structure/200/7e10183d5cfa574626b26f0a48c27d5b/OC%255BC%2540H%255D1O%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2OC%253DC%2528%255BC%2540H%255D3CC%255BC%2540H%255D%2528COC%2528%253DO%2529%255CC%253DC%255CC4%253DCC%253DC%2528O%2529C%253DC4%2529%255BC%2540%2540H%255D23%2529C%2528O%2529%253DO%2529%255BC%2540H%255D%2528O%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540%2540H%255D1O.png)
![Chemical structure of (2S)-3-hydroxy-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate - CSSB14823689388](/st/structure/200/f435ba73407c378d280c462cbd704ee8/OC%255BC%2540%2540H%255D%2528COC%2528%253DO%2529%255CC%253DC%255Cc1ccc%2528O%2529c%2528O%2529c1%2529O%255BC%2540%2540H%255D1O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D1O.png)
![Chemical structure of (2S)-3-(acetyloxy)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate - CSSB14823689386](/st/structure/200/e8d51723f1b5160bdf2daf99a33f448e/CC%2528%253DO%2529OC%255BC%2540%2540H%255D%2528COC%2528%253DO%2529%255CC%253DC%255Cc1ccc%2528O%2529c%2528O%2529c1%2529O%255BC%2540%2540H%255D1O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D1O.png)
![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 - 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)
![Chemical structure of (1S,4aS,5R,7aS)-5-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid - CSSB06744555873](/st/structure/200/cc561428c58d06029ac3707b4c5ab213/OC%255BC%2540H%255D1O%255BC%2540%2540H%255D%2528O%255BC%2540%2540H%255D2OC%253DC%2528%255BC%2540H%255D3%255BC%2540H%255D%2528O%2529C%253DC%2528COC%2528%253DO%2529%255CC%253DC%255Cc4ccc%2528O%2529cc4%2529%255BC%2540%2540H%255D23%2529C%2528O%2529%253DO%2529%255BC%2540H%255D%2528O%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540%2540H%255D1O.png)
