GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 381
TrivialName notoginsenoside LK5
Type C17-side chain varied
MF C₅₈H₉₆O₂₇
MolecularWeight 1225.379
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]5(C)C1CC[C@]6(C)C5C[C@@H](O)C7[C@@]6(C)CCC7[C@@](CCC(C(C)=C)=O)(C)O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]9[C@H](O)[C@@H](O)[C@@H](O)CO9)O8
Canonical SMILES C=C(C)C(=O)CCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C
Source PN
Functions NT
Year 2019
References

Li et al. (2019)

Structure notoginsenoside LK5