GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 418
TrivialName ginsenoside Re7
Type C17-side chain varied
MF C₄₈H₈₂O₁₉
MolecularWeight 963.165
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]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]5(C)C2C[C@@H](O)C6[C@@]5(C)CCC6[C@@](C)(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)/C=C/CC(C)(O)C)C1(C)C
Canonical SMILES CC1OC(OC2C(OC3CC4(C)C(CC(O)C5C(C(C)(C=CCC(C)(C)O)OC6OC(CO)C(O)C(O)C6O)CCC54C)C4(C)CCC(O)C(C)(C)C34)OC(CO)C(O)C2O)C(O)C(O)C1O
Source PG
Functions Hydroxyl radical scavenging activity, antibacterial, anticancer
Year 2015
References

Lee et al. (2015)

Structure ginsenoside Re7