ethyl {[6-({6-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-({(6aRS,6bSR,8aSR,11SR,14bSR)-11-[(2-ethoxy-2-oxoethyl)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)-4,5-dihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carbonyl]amino}acetate
Chemical Structure Depiction of
ethyl {[6-({6-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-({(6aRS,6bSR,8aSR,11SR,14bSR)-11-[(2-ethoxy-2-oxoethyl)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)-4,5-dihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carbonyl]amino}acetate
ethyl {[6-({6-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-({(6aRS,6bSR,8aSR,11SR,14bSR)-11-[(2-ethoxy-2-oxoethyl)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)-4,5-dihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carbonyl]amino}acetate
Compound characteristics
| Compound ID: | N016-0074 |
| Compound Name: | ethyl {[6-({6-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-({(6aRS,6bSR,8aSR,11SR,14bSR)-11-[(2-ethoxy-2-oxoethyl)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)-4,5-dihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carbonyl]amino}acetate |
| Molecular Weight: | 1078.27 |
| Molecular Formula: | C54 H83 N3 O19 |
| Smiles: | CCOC(CNC(C1C(C(C(C(OC2C(C(C(C(NCC(=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(NCC(=O)OCC)=O)=O)[C@@]2(C)C)O)O)O1)O)O)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5519 |
| logD: | 2.5519 |
| logSw: | -3.0197 |
| Hydrogen bond acceptors count: | 26 |
| Hydrogen bond donors count: | 8 |
| Polar surface area: | 256.24 |
| InChI Key: | XFDSQINNWSUHNJ-VRNZYKKYSA-N |