GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 606
TrivialName Chikusetsusaponin lb
Type OA
MF C₄₇H₇₄O₁₈
MolecularWeight 927.091
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](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](CO)O3)[C@@H](C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=O)O2)CC[C@@]5(C)C1CC[C@]6(C)C5CC=C7[C@]6(CC[C@]8(C(O)=O)C7CC(C)(C)CC8)C
Canonical SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Source PJ
Functions NT
Year 1976
References

Lin et al. (1976)

Structure Chikusetsusaponin lb