1-O-{(4RS,6aRS,9RS,11bSR)-9-[(2-O-hexopyranosylhexopyranosyl)oxy]-4,11b-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carbonyl}hexopyranose
Chemical Structure Depiction of
1-O-{(4RS,6aRS,9RS,11bSR)-9-[(2-O-hexopyranosylhexopyranosyl)oxy]-4,11b-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carbonyl}hexopyranose
1-O-{(4RS,6aRS,9RS,11bSR)-9-[(2-O-hexopyranosylhexopyranosyl)oxy]-4,11b-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carbonyl}hexopyranose
Compound characteristics
| Compound ID: | N060-0154 |
| Compound Name: | 1-O-{(4RS,6aRS,9RS,11bSR)-9-[(2-O-hexopyranosylhexopyranosyl)oxy]-4,11b-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carbonyl}hexopyranose |
| Molecular Weight: | 792.87 |
| Molecular Formula: | C37 H60 O18 |
| Smiles: | [H]C1(C([H])(C([H])(CO)OC([H])(C1([H])O)OC([C@]1(C)CCC[C@@]2(C)C3CC[C@]4(CC[C@]3(CCC12)C4)OC1C(C(C(C(CO)O1)O)O)OC1C(C(C(C(CO)O1)O)O)O)=O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -2.5377 |
| logD: | -2.5377 |
| logSw: | -1.1221 |
| Hydrogen bond acceptors count: | 19 |
| Hydrogen bond donors count: | 11 |
| Polar surface area: | 236.463 |
| InChI Key: | XOUZKNDFCQOEMV-DLLHFVESSA-N |