GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
Jump to section
Compound Information
ID 180
TrivialName (20S)-6-O-[(E)-but-2-enoyl-(1→6)-β-D-glucopyranosyl] dammar-24-ene-3β,6α,12β,20-tetrol
Type PPT
MF C₄₀H₆₆O₁₀
MolecularWeight 706.958
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C)=O)O3)C[C@]4(C)C2C[C@@H](O[H])C5[C@@]4(C)CCC5[C@@](C)(O[H])CC/C=C(C)/C
Canonical SMILES CC=CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C(C)(O)CCC=C(C)C)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O
Source PN
Functions NT
Year 2014
References

Qiu et al. (2014)

Structure (20S)-6-O-[(E)-but-2-enoyl-(1→6)-β-D-glucopyranosyl] dammar-24-ene-3β,6α,12β,20-tetrol