benzyl (5xi,9xi,18xi)-30-(benzyloxy)-11,30-dioxoolean-12-en-3-yl 2-O-(6-benzylhexopyranuronosyl)hexopyranosiduronate
Chemical Structure Depiction of
benzyl (5xi,9xi,18xi)-30-(benzyloxy)-11,30-dioxoolean-12-en-3-yl 2-O-(6-benzylhexopyranuronosyl)hexopyranosiduronate
benzyl (5xi,9xi,18xi)-30-(benzyloxy)-11,30-dioxoolean-12-en-3-yl 2-O-(6-benzylhexopyranuronosyl)hexopyranosiduronate
Compound characteristics
| Compound ID: | N016-0014 |
| Compound Name: | benzyl (5xi,9xi,18xi)-30-(benzyloxy)-11,30-dioxoolean-12-en-3-yl 2-O-(6-benzylhexopyranuronosyl)hexopyranosiduronate |
| Molecular Weight: | 1093.33 |
| Molecular Formula: | C63 H80 O16 |
| Smiles: | C[C@@]1(C)C2CC[C@]3(C)C(C(C=C4C5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)OCc3ccccc3)=O)[C@@]2(C)CCC1OC1C(C(C(C(C(=O)OCc2ccccc2)O1)O)O)OC1C(C(C(C(C(=O)OCc2ccccc2)O1)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.8555 |
| logD: | 8.8555 |
| logSw: | -5.8531 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 184.283 |
| InChI Key: | PLFXIIUVMCJPBZ-CQIUSZNYSA-N |