GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 162
TrivialName Chikusetsusaponin L5
Type PPT
MF C₄₆H₇₈O₁₇
MolecularWeight 903.113
IUPACName NT
m/z 947.5205
Retention Time 19.44
CCS 324.4
Adducts [M−H+HCOOH]−
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[H])C[C@]3(C)C2C[C@@H](O)C4[C@@]3(C)CCC4[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](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)CO6)O5)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(COC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
Source PJ
Functions Tyrosinase inhibitor
Year 1977
References

Yahara et al. (1977)

Structure Chikusetsusaponin L5