| Phytochemical Name : Degalactotigonin |
| PCNDIDD0027 |
| Pubchem CID : 162401 |
| Molecular formula: C50H82O22 |
| Canonical SMILES : CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1 |
Synonymes : Degalactotigonin|39941-51-0|3-O-(beta-Lycotetraosyl)-(25R)-5alpha-spirostan-3beta-ol|Desgalactotigonin|(3beta,5alpha,25R)-Spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside|C50-H82-O22|CHEMBL454566|DTXSID90276515|Degalactotigonin, analytical standard|C50H82O22|AKOS040763715|beta-D-Galactopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.160 |
| Log Po/w (XLOGP3) : 7.050 |
| Log Po/w (WLOGP) : 5.880 |
| Log Po/w (MLOGP) : 4.470 |
| Log Po/w (SILICOS-IT) : 5.770 |
| Consensus Log Po/w : 5.470 |