GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 421
TrivialName notoginsenoside SP20
Type C17-side chain varied
MF C₃₇H₆₄O₁₁
MolecularWeight 684.908
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O)CC[C@@]2(C)C1[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]4(C)C2C[C@@H](O)C5[C@@]4(C)CCC5[C@](C)(OC)/C=C/C(O)C(C)(O)C
Canonical SMILES COC(C)(C=CC(O)C(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
Source PN
Functions NT
Year 2017
References

Gu et al. (2017)

Structure notoginsenoside SP20