GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 401
TrivialName notoginsenoside SP17
Type C17-side chain varied
MF C₄₃H₇₂O₁₄
MolecularWeight 813.035
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](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]4(C)C1C([H])C[C@]5(C)C4C[C@@H](O)C6[C@@]5(C)CCC6/C(C)=C/[C@H](OC)[C@@H](O7)C7(C)C
Canonical SMILES COC(C=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)C1OC1(C)C
Source PN
Functions promote the differentiation of PC12 cells
Year 2015
References

Gu et al. (2015)

Structure notoginsenoside SP17