GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 478
TrivialName notoginsenoside NL-A4
Type C17-side chain varied
MF C₄₄H₇₂O₁₇
MolecularWeight 873.043
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](OC(CC(O)=O)=O)CC[C@@]2(C)C1CC[C@]3(C)C2C[C@@H](O)C4[C@@]3(C)CCC4[C@@](C/C=C/C(C)(OO)C)(C)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](CO)O6)O5
Canonical SMILES CC(C)(C=CCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC12C)OO
Source PN
Functions NT
Year 2020
References

Sun et al. (2020)

Structure notoginsenoside NL-A4