ethyl 2-{[3,4-bis(acetyloxy)-6-({(6aRS,6bSR,8aSR,11SR,14bSR)-11-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a, 14b-icosahydropicen-3-yl}oxy)-5-({3,4,5-tris(acetyloxy)-6-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]oxan-2-yl}oxy)oxane-2-carbonyl]amino}-3-methylbutanoate
Chemical Structure Depiction of
ethyl 2-{[3,4-bis(acetyloxy)-6-({(6aRS,6bSR,8aSR,11SR,14bSR)-11-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a, 14b-icosahydropicen-3-yl}oxy)-5-({3,4,5-tris(acetyloxy)-6-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]oxan-2-yl}oxy)oxane-2-carbonyl]amino}-3-methylbutanoate
ethyl 2-{[3,4-bis(acetyloxy)-6-({(6aRS,6bSR,8aSR,11SR,14bSR)-11-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a, 14b-icosahydropicen-3-yl}oxy)-5-({3,4,5-tris(acetyloxy)-6-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]oxan-2-yl}oxy)oxane-2-carbonyl]amino}-3-methylbutanoate
Compound characteristics
| Compound ID: | N016-0021 |
| Compound Name: | ethyl 2-{[3,4-bis(acetyloxy)-6-({(6aRS,6bSR,8aSR,11SR,14bSR)-11-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a, 14b-icosahydropicen-3-yl}oxy)-5-({3,4,5-tris(acetyloxy)-6-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]oxan-2-yl}oxy)oxane-2-carbonyl]amino}-3-methylbutanoate |
| Molecular Weight: | 1414.7 |
| Molecular Formula: | C73 H111 N3 O24 |
| Smiles: | CCOC(C(C(C)C)NC(C1C(C(C(C(OC2C(C(C(C(NC(C(C)C)C(=O)OCC)=O)OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(C=C3C5C[C@](C)(CC[C@]5(C)CC[C@]34C)C(NC(C(C)C)C(=O)OCC)=O)=O)[C@]2(C)C)OC(C)=O)OC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.2937 |
| logD: | 8.2937 |
| logSw: | -5.8113 |
| Hydrogen bond acceptors count: | 36 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 279.289 |
| InChI Key: | WAGJCDMGPOWSLM-SWWQPMCSSA-N |