GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 595
TrivialName Acetyl-ginsenoside Rf
Type PPT
MF C₄₄H₇₄O₁₅
MolecularWeight 843.061
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES O[C@H]1CC[C@@]2(C)C([C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O4)O3)C[C@]5(C)C2C[C@@H](O)C6[C@@]5(C)CCC6[C@@](CC/C=C(C)/C)(C)O)C1(C)C
Canonical SMILES CC(=O)OCC1OC(OCC2OC(OC3CC4(C)C(CC(O)C5C(C(C)(O)CCC=C(C)C)CCC54C)C4(C)CCC(O)C(C)(C)C34)C(O)C(O)C2O)C(O)C(O)C1O
Source PJ
Functions NT
Year 2018
References

Du et al. (2018)

Structure Acetyl-ginsenoside Rf