Trachelosperogenin A1

Chemical Information
(2r,3r,4r,6ar,6bs,8as,11r,12r,12as,14br)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid is a triterpenoid saponin.
| CAS Number | 109750-36-9 |
| PubChem CID | 23930389 |
| IUPAC Name | (2R,3R,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid |
| Molecular Formula | C36H56O12 |
| Molecular Weight | 680.8 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 214 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1350 |
| Property | Value |
|---|---|
| Molecular Weight | 680.8 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 5 |
| Exact Mass | 680.37717722 |
| Monoisotopic Mass | 680.37717722 |
| Topological Polar Surface Area | 214 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1350 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Related Products
Alternative Products
| Catalog | Name |
|---|---|
| GTR19227598-01 | Trachelosperogenin A1 |
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