Tangshenoside I

Chemical Information
RN refers to ((S-(E))-isomer; from the root of Codonopsis pilosula
| CAS Number | 117278-74-7 |
| PubChem CID | 14135589 |
| IUPAC Name | (3S)-5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid |
| Molecular Formula | C29H42O18 |
| Molecular Weight | 678.6 |
| XLogP | -2.6 |
| Topological Polar Surface Area | 281 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1020 |
| Property | Value |
|---|---|
| Molecular Weight | 678.6 |
| XLogP3 | -2.6 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 16 |
| Exact Mass | 678.23711449 |
| Monoisotopic Mass | 678.23711449 |
| Topological Polar Surface Area | 281 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1020 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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