| Phytochemical Name : alpha-Chaconine |
| PCNDIDA0085 |
| Pubchem CID : 442971 |
| Molecular formula: C45H73NO14 |
| Canonical SMILES : CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C |
Synonymes : alpha-Chaconine|Chaconine|20562-03-2|.alpha.-Chaconine|UNII-5QOL0LIM81|5QOL0LIM81|4-21-00-01401 (Beilstein Handbook Reference)|CCRIS 6509|BRN 0077396|C45H73NO14|alpha -Chaconine|.ALPHA.-CHACONINE [MI]|CHEBI:10219|DTXSID501016601|.beta.-D-Glucopyranoside, (3.beta.)-solanid-5-en-3-yl O-6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.2)-O-[6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.4)]-|beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-|AKOS040760264|MS-31576|HY-129113|CS-0103657|Q2947331|(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,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]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.)-SOLANID-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.880 |
| Log Po/w (XLOGP3) : 1.750 |
| Log Po/w (WLOGP) : 0.800 |
| Log Po/w (MLOGP) : -0.400 |
| Log Po/w (SILICOS-IT) : -1.330 |
| Consensus Log Po/w : 1.340 |