GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 121
TrivialName Chikusetsusaponin FK1
Type PPT
MF C₄₈H₈₂O₁₈
MolecularWeight 947.166000000001
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES O[C@H]1CC[C@@]2(C)C([C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]5(C)C2C[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C7[C@@]5(C)CCC7[C@@](C)(O)CC/C=C(C)/C)C1(C)C
Canonical SMILES CC(C)=CCCC(C)(O)C1CCC2(C)C1C(OC1OC(CO)C(O)C(O)C1O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12C
Source PJ
Functions NT
Year 2012
References

Yoshizaki et al. (2012)

Structure Chikusetsusaponin FK1