Paederoside

Chemical Information
Paederoside is a glycoside.
| CAS Number | 20547-45-9 |
| PubChem CID | 442432 |
| IUPAC Name | [(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl methylsulfanylformate |
| Molecular Formula | C18H22O11S |
| Molecular Weight | 446.4 |
| XLogP | -1.5 |
| Topological Polar Surface Area | 187 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 767 |
| Property | Value |
|---|---|
| Molecular Weight | 446.4 |
| XLogP3 | -1.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 446.08828269 |
| Monoisotopic Mass | 446.08828269 |
| Topological Polar Surface Area | 187 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 767 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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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