rel-(2R,18E,20R,21R,22S,23S,24S,25R,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']na phtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate
Chemical Structure Depiction of
rel-(2R,18E,20R,21R,22S,23S,24S,25R,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']na phtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate
rel-(2R,18E,20R,21R,22S,23S,24S,25R,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']na phtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate
Compound characteristics
| Compound ID: | H031-0012 |
| Compound Name: | rel-(2R,18E,20R,21R,22S,23S,24S,25R,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']na phtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate |
| Molecular Weight: | 785.89 |
| Molecular Formula: | C43 H51 N3 O11 |
| Smiles: | CC1C=Cn2c3c4c(c5c(c(C)c6c(C([C@@](C)(O/C=C/[C@H]([C@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(/C)C(N4)=O)O)O)OC(C)=O)OC)O6)=O)c5c3nc2C=1)O)O |
| Stereo: | ABSOLUTE |
| logP: | 5.5111 |
| logD: | 5.467 |
| logSw: | -5.6769 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 148.548 |
| InChI Key: | NZCRJKRKKOLAOJ-IIBMFGDOSA-N |