Details of THALICTOSIDE A
| IUPAC | (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5R,6R)-6-[[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2S)-3,7-dihydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| Canonical Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4CCC56CC57CCC8(C(CCC8(C7CCC6C4(C)C)C)C(C)C(CC=C(C)CO)O)C)C)O)O)O)O)O)O |
| Inchi | NEXOJELFRVHFMW-DIFNOWTOSA-N |
| PubChem ID | 101631770 |
| Smiles | CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)CO |
| Class | Cycloartane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |