GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 92
TrivialName Notoginsenoside NL-I
Type PPD
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)C1CC[C@]4(C)C3C[C@@H](O5)C6[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](O)CO8)O7)C[C@@H]5/C=C(C)/C
Canonical SMILES CC(C)=CC1CC(C)(OC2OC(COC3OCC(O)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 anti-inflammatory
Year 2020
References

Ruan et al. (2020)

Structure Notoginsenoside NL-I