1-O-{3-[(4-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl}hexopyranose
Chemical Structure Depiction of
1-O-{3-[(4-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl}hexopyranose
1-O-{3-[(4-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl}hexopyranose
Compound characteristics
| Compound ID: | N025-0034 |
| Compound Name: | 1-O-{3-[(4-O-hexopyranosylhexopyranosyl)oxy]-28-oxoolean-12-en-28-yl}hexopyranose |
| Molecular Weight: | 943.14 |
| Molecular Formula: | C48 H78 O18 |
| Smiles: | [H]C1(C(C([H])(OC(C23CCC(C)(C)CC3C3=CCC4C5(C)CCC(C(C)(C)C5CCC4(C)C3(C)CC2)OC2([H])C([H])(C([H])(C([H])(C([H])(CO)O2)OC2([H])C([H])(C([H])(C([H])(C([H])(CO)O2)O)O)O)O)O)=O)OC([H])(CO)C1([H])O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5433 |
| logD: | 1.5433 |
| logSw: | -2.1893 |
| Hydrogen bond acceptors count: | 19 |
| Hydrogen bond donors count: | 11 |
| Polar surface area: | 236.665 |
| InChI Key: | NAIMCEFAGOEXSH-UHFFFAOYSA-N |