GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 473
TrivialName notoginsenoside NL-B2
Type C17-side chain varied
MF C₅₈H₉₈O₂₇
MolecularWeight 1227.395
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@@](C/C=C/C(C)(O)C)(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](CO)O9)O8
Canonical SMILES CC(C)(O)C=CCC(C)(OC1OC(COC2OC(CO)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 anti-inflammatory activity
Year 2020
References

Sun et al. (2020)

Structure notoginsenoside NL-B2