(5xi,9xi,18xi)-30-hydroxy-11,30-dioxoolean-12-en-3-yl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetylhexopyranuronosyl)hexopyranosiduronic acid
Chemical Structure Depiction of
(5xi,9xi,18xi)-30-hydroxy-11,30-dioxoolean-12-en-3-yl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetylhexopyranuronosyl)hexopyranosiduronic acid
(5xi,9xi,18xi)-30-hydroxy-11,30-dioxoolean-12-en-3-yl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetylhexopyranuronosyl)hexopyranosiduronic acid
Compound characteristics
| Compound ID: | N016-0072 |
| Compound Name: | (5xi,9xi,18xi)-30-hydroxy-11,30-dioxoolean-12-en-3-yl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetylhexopyranuronosyl)hexopyranosiduronic acid |
| Molecular Weight: | 1033.14 |
| Molecular Formula: | C52 H72 O21 |
| Smiles: | CC(=O)OC1C(C(C(O)=O)OC(C1OC1C(C(C(C(C(O)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2C(C=C2C4C[C@](C)(CC[C@]4(C)CC[C@]23C)C(O)=O)=O)[C@@]1(C)C)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0963 |
| logD: | 0.9485 |
| logSw: | -4.3692 |
| Hydrogen bond acceptors count: | 30 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 230.141 |
| InChI Key: | WRBJTVCSBPOEMQ-YWDDNHCVSA-N |