| Phytochemical Name : Andrographoside |
| PCNDIDA0131 |
| Pubchem CID : 6439612 |
| Molecular formula: C26H40O10 |
| Canonical SMILES : CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)COC4C(C(C(C(O4)CO)O)O)O)O |
Synonymes : Andrographoside|82209-76-5|(3E,4S)-3-[2-[(4aS,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one|Andrographiside|AKOS032948431|2(3H)-Furanone, 3-(2-(5-((beta-D-glucopyranosyloxy)methyl)decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.680 |
| Log Po/w (XLOGP3) : 0.020 |
| Log Po/w (WLOGP) : -0.210 |
| Log Po/w (MLOGP) : -0.290 |
| Log Po/w (SILICOS-IT) : 0.900 |
| Consensus Log Po/w : 0.620 |