GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 282
TrivialName Ginsenoside Rs5
Type C17-side chain varied
MF C₄₄H₇₂O₁₄
MolecularWeight 825.046
IUPACName NT
m/z 853.4943
Retention Time 55.1
CCS 329.12
Adducts [M−H+HCOOH]−
Isomeric SMILES CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]4(C)C1[C@@H](O[H])C[C@]5(C)C4C[C@@H](O)C6[C@@]5(C)CCC6C(CC/C=C(C)/C)=C
Canonical SMILES C=C(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)C(C)(C)C3C(O)CC12C
Source Other
Functions antioxidant
Year 2002
References

Park et al. (2002a)

Structure Ginsenoside Rs5