Lanatoside C (Standard)

Chemical Information
lanatoside C has been reported in Digitalis lamarckii, Digitalis grandiflora, and other organisms with data available.
| CAS Number | 17575-22-3 |
| PubChem CID | 656630 |
| IUPAC Name | [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate |
| Molecular Formula | C49H76O20 |
| Molecular Weight | 985.1 |
| XLogP | 0.2 |
| Topological Polar Surface Area | 288 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1870 |
| Property | Value |
|---|---|
| Molecular Weight | 985.1 |
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 12 |
| Exact Mass | 984.49299481 |
| Monoisotopic Mass | 984.49299481 |
| Topological Polar Surface Area | 288 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1870 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 26 |
| 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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