(5xi,9xi,18xi)-30-butoxy-11,30-dioxoolean-12-en-3-yl butyl 2-O-(6-butylhexopyranuronosyl)hexopyranosiduronate
Chemical Structure Depiction of
(5xi,9xi,18xi)-30-butoxy-11,30-dioxoolean-12-en-3-yl butyl 2-O-(6-butylhexopyranuronosyl)hexopyranosiduronate
(5xi,9xi,18xi)-30-butoxy-11,30-dioxoolean-12-en-3-yl butyl 2-O-(6-butylhexopyranuronosyl)hexopyranosiduronate
Compound characteristics
| Compound ID: | N016-0008 |
| Compound Name: | (5xi,9xi,18xi)-30-butoxy-11,30-dioxoolean-12-en-3-yl butyl 2-O-(6-butylhexopyranuronosyl)hexopyranosiduronate |
| Molecular Weight: | 991.27 |
| Molecular Formula: | C54 H86 O16 |
| Smiles: | CCCCOC(C1C(C(C(C(OC2C(C(C(C(=O)OCCCC)OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(C=C3C5C[C@](C)(CC[C@]5(C)CC[C@]34C)C(=O)OCCCC)=O)[C@]2(C)C)O)O)O1)O)O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.4298 |
| logD: | 8.4298 |
| logSw: | -5.7734 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 184.853 |
| InChI Key: | OEHZWWRJBNGPNB-KEICPYMMSA-N |