6-O-hexopyranosyl-1-O-[(8xi,9xi,18xi)-28-oxo-3-{[pentopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->2)pentopyranosyl]oxy}-5xi,10xi,17xi-olean-12-en-28-yl]hexopyranose
Chemical Structure Depiction of
6-O-hexopyranosyl-1-O-[(8xi,9xi,18xi)-28-oxo-3-{[pentopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->2)pentopyranosyl]oxy}-5xi,10xi,17xi-olean-12-en-28-yl]hexopyranose
6-O-hexopyranosyl-1-O-[(8xi,9xi,18xi)-28-oxo-3-{[pentopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->2)pentopyranosyl]oxy}-5xi,10xi,17xi-olean-12-en-28-yl]hexopyranose
Compound characteristics
| Compound ID: | N039-0035 |
| Compound Name: | 6-O-hexopyranosyl-1-O-[(8xi,9xi,18xi)-28-oxo-3-{[pentopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->2)pentopyranosyl]oxy}-5xi,10xi,17xi-olean-12-en-28-yl]hexopyranose |
| Molecular Weight: | 1191.38 |
| Molecular Formula: | C58 H94 O25 |
| Smiles: | CC1C(C(C(C(O1)OC1C(C(COC1OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(CC[C@@]4(C)C3(C)CCC2[C@]1(C)C)C(=O)OC1C(C(C(C(COC2C(C(C(C(CO)O2)O)O)O)O1)O)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.2177 |
| logD: | -1.2178 |
| logSw: | -1.3907 |
| Hydrogen bond acceptors count: | 26 |
| Hydrogen bond donors count: | 14 |
| Polar surface area: | 313.358 |
| InChI Key: | BGKLFKHHSFCDKC-UHFFFAOYSA-N |