GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 391
TrivialName notoginsenoside-LX
Type C17-side chain varied
MF C₄₇H₇₈O₁₇
MolecularWeight 915.124
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](O)[C@H](O)[C@@H](CO)O2)CC[C@@]3(C)C1C([H])C[C@]4(C)C3C[C@@H]5C6[C@@]4(C)CCC6[C@@](C)(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]8[C@H](O)[C@@H](O)[C@H](CO)O8)O7)CC(/C=C(C)/C)O5
Canonical SMILES CC(C)=CC1CC(C)(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC23C)O1
Source PN
Functions NT
Year 2014
References

Li et al. (2014)

Structure notoginsenoside-LX