GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 259
TrivialName Ginsenoside Rs4
Type C17-side chain varied
MF C₄₄H₇₂O₁₄
MolecularWeight 825.046
IUPACName NT
m/z 807.4908
Retention Time 53.47
CCS 313.42
Adducts [M−H]−
Isomeric SMILES C/C(C1CC[C@@]2(C)[C@]3(C)C[C@H](O[H])C4C(C)(C)[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5)CC[C@]4(C)C3C[C@@H](O)C21)=C/C/C=C(C)/C
Canonical SMILES CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(C(O)CC5(C)C4CC(O)C4C(C(C)=CCC=C(C)C)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Source Other
Functions apoptosis inducer
Year 2002
References

Park et al. (2002a)

Structure Ginsenoside Rs4