Jujuboside A

Chemical Information
Jujuboside A is a triterpenoid.
| CAS Number | 55466-04-1 |
| PubChem CID | 51346169 |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Molecular Formula | C58H94O26 |
| Molecular Weight | 1207.3 |
| XLogP | -1.6 |
| Topological Polar Surface Area | 394 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 26 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 84 |
| Formal Charge | 0 |
| Complexity | 2330 |
| Property | Value |
|---|---|
| Molecular Weight | 1207.3 |
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 26 |
| Rotatable Bond Count | 13 |
| Exact Mass | 1206.60333310 |
| Monoisotopic Mass | 1206.60333310 |
| Topological Polar Surface Area | 394 Ų |
| Heavy Atom Count | 84 |
| Formal Charge | 0 |
| Complexity | 2330 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 34 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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