Details of BACOPASIDE I
| IUPAC | [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate |
| Canonical Smiles | CC(=CC1COC23CC4(CO2)C(C3C1(C)O)CCC5C4(CCC6C5(CCC(C6(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)COS(=O)(=O)O)O)O)O)OC9C(C(C(O9)CO)O)O)C)C)C |
| Inchi | SKFWOYHZBNAJGA-YAOMZRCFSA-N |
| PubChem ID | 21599442 |
| Smiles | CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(OC7OC(COS(=O)(=O)O)C(O)C(O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC24C)C3C1(C)O |
| Class | Dammarane and Protostane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |
