| Phytochemical Name : Dehydrocommersonine |
| PCNDIDD0032 |
| Pubchem CID : 101699426 |
| Molecular formula: C51H83NO21 |
| Canonical SMILES : CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C |
Synonymes : Dehydrocommersonine|Didehydrocommersonine|5,6-Didehydrocommersonine|8ORO1FQM8B|UNII-8ORO1FQM8B|65428-74-2|(3beta)-Solanid-5-en-3-yl o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-o-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside|beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-o-beta-D-glucopyranosyl-(1->4)-|Q27896873|(3.BETA.)-SOLANID-5-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-GALACTOPYRANOSIDE|.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.)-SOLANID-5-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.470 |
| Log Po/w (XLOGP3) : 2.450 |
| Log Po/w (WLOGP) : 2.070 |
| Log Po/w (MLOGP) : 1.110 |
| Log Po/w (SILICOS-IT) : 2.810 |
| Consensus Log Po/w : 2.180 |