| Phytochemical Name : CID 442984 |
| PCNDIDC0151 |
| Pubchem CID : 442984 |
| Molecular formula: C45H73NO15 |
| Canonical SMILES : CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C |
Synonymes : alpha-Solanin|.alpha.-Solanine|20562-02-1|.beta.-D-Galactopyranoside, (3.beta.)-solanid-5-en-3-yl O-6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.2)-O-[.beta.-D-glucopyranosyl-(1.fwdarw.3)]-|beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(12)-O-(beta-D-glucopyranosyl-(13))-|Q63396490|(22beta)-solanid-5-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.520 |
| Log Po/w (XLOGP3) : 1.810 |
| Log Po/w (WLOGP) : -0.230 |
| Log Po/w (MLOGP) : -1.140 |
| Log Po/w (SILICOS-IT) : -1.930 |
| Consensus Log Po/w : 0.610 |