GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
Jump to section
Compound Information
ID 144
TrivialName 6'-O-Acetyl-ginsenoside Rg1
Type PPT
MF C₄₄H₇₄O₁₅
MolecularWeight 843.061
IUPACName NT
m/z 841.4954
Retention Time 13.52
CCS 295.41
Adducts [M−H]−
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)=O)O3)C[C@]4(C)C2C[C@@H](O)C5[C@@]4(C)CCC5[C@@](C)(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC/C=C(C)/C
Canonical SMILES CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C(C)(CCC=C(C)C)OC5OC(CO)C(O)C(O)C5O)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O
Source PQ
Functions NT
Year 1998
References

Yoshikawa et al. (1998)

Structure 6'-O-Acetyl-ginsenoside Rg1