| Phytochemical Name : Colubrin |
| PCNDIDC0223 |
| Pubchem CID : 441914 |
| Molecular formula: C48H76O18 |
| 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)O)O)OC9C(C(C(CO9)O)O)O)OC(=O)C)C)(C)O)C |
Synonymes : Colubrin|87834-09-1|C08936|CHEBI:3825|DTXSID101100430|[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-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-3-yl] acetate|alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-beta-D-xylopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->3)-, 2-acetate|Q27106204|alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-beta-D-xylopyranosyl-(1-->2)-O-beta-D-glucopyranosyl-(1-->3)-, 2-acetate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.730 |
| Log Po/w (XLOGP3) : 2.200 |
| Log Po/w (WLOGP) : 1.180 |
| Log Po/w (MLOGP) : -1.000 |
| Log Po/w (SILICOS-IT) : 0.440 |
| Consensus Log Po/w : 1.510 |