(5xi,9xi,18xi)-30-methoxy-11,30-dioxoolean-12-en-3-yl methyl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-methylhexopyranuronosyl)hexopyranosiduronate
Chemical Structure Depiction of
(5xi,9xi,18xi)-30-methoxy-11,30-dioxoolean-12-en-3-yl methyl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-methylhexopyranuronosyl)hexopyranosiduronate
(5xi,9xi,18xi)-30-methoxy-11,30-dioxoolean-12-en-3-yl methyl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-methylhexopyranuronosyl)hexopyranosiduronate
Compound characteristics
| Compound ID: | N016-0048 |
| Compound Name: | (5xi,9xi,18xi)-30-methoxy-11,30-dioxoolean-12-en-3-yl methyl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-methylhexopyranuronosyl)hexopyranosiduronate |
| Molecular Weight: | 1075.22 |
| Molecular Formula: | C55 H78 O21 |
| Smiles: | CC(=O)OC1C(C(C(=O)OC)OC(C1OC1C(C(C(C(C(=O)OC)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)OC)=O)[C@@]1(C)C)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9203 |
| logD: | 5.9203 |
| logSw: | -5.5562 |
| Hydrogen bond acceptors count: | 30 |
| Polar surface area: | 208.438 |
| InChI Key: | GBGNHQGRWGJVAE-XBCHRGKOSA-N |