(9xi,10xi,13xi,17xi)-16,25-dihydroxy-3-(pentopyranosyloxy)-5xi,8xi-20,24-epoxy-9,19-cyclolanostan-6-yl hexopyranoside
Chemical Structure Depiction of
(9xi,10xi,13xi,17xi)-16,25-dihydroxy-3-(pentopyranosyloxy)-5xi,8xi-20,24-epoxy-9,19-cyclolanostan-6-yl hexopyranoside
(9xi,10xi,13xi,17xi)-16,25-dihydroxy-3-(pentopyranosyloxy)-5xi,8xi-20,24-epoxy-9,19-cyclolanostan-6-yl hexopyranoside
Compound characteristics
| Compound ID: | N039-0045 |
| Compound Name: | (9xi,10xi,13xi,17xi)-16,25-dihydroxy-3-(pentopyranosyloxy)-5xi,8xi-20,24-epoxy-9,19-cyclolanostan-6-yl hexopyranoside |
| Molecular Weight: | 784.99 |
| Molecular Formula: | C41 H68 O14 |
| Smiles: | CC12CCC34CC45CCC([C@@](C)(C)C5[C@H](CC3[C@]2(C)CC(C1[C@@]1(C)CCC(C(C)(C)O)O1)O)OC1C(C(C(C(CO)O1)O)O)O)OC1C(C(C(CO1)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.207 |
| logD: | 1.207 |
| logSw: | -1.7522 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 9 |
| Polar surface area: | 180.845 |
| InChI Key: | QMNWISYXSJWHRY-JNZVQKLASA-N |