| Phytochemical Name : Colubrinoside |
| PCNDIDC0224 |
| Pubchem CID : 441915 |
| Molecular formula: C50H78O19 |
| Canonical SMILES : CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)CO)OC(=O)C)OC9C(C(C(CO9)O)O)O)O)OC(=O)C)C)(C)O)C |
Synonymes : Colubrinoside|Colubrinoside (Colubrina arborescens)|59871-76-0|[(2R,3R,4R,5R,6S)-6-[(2S,3R,4S,5S)-3-acetyloxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(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-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate|87834-10-4|CHEBI:3826|C50H78O19|C50H80O20|C50-H78-O19|C50-H80-O20|C08937|Q27106205 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.010 |
| Log Po/w (XLOGP3) : 2.220 |
| Log Po/w (WLOGP) : 1.750 |
| Log Po/w (MLOGP) : -0.690 |
| Log Po/w (SILICOS-IT) : 0.990 |
| Consensus Log Po/w : 1.660 |