| Phytochemical Name : Solanine |
| PCNDIDS0127 |
| Pubchem CID : 262500 |
| 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 : SOLANINE|alpha-Solanine|alpha-Solanin|20562-02-1|.alpha.-Solanine|a-solanine|(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|2-[5-Hydroxy-6-(hydroxymethyl)-2-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|SCHEMBL2380177|CHEMBL1975187|DTXSID90860251|.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))-|NSC96019|NSC-96019|NCI60_042141|FT-0645058|Q373791|solanid-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->3)]hexopyranoside |
| Structure | |
| 3D structure | 2D structure |
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| 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 |

