GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 178
TrivialName 6-O-[β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl]-20-O-[β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl]-20(S)-protopanaxatriol
Type PPT
MF C₅₄H₉₂O₂₄
MolecularWeight 1125.306
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]5(C)C2C[C@@H](O[H])C6[C@@]5(C)CCC6[C@@](C)(O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](CO)O7)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC12C
Source PJ
Functions NT
Year 2013
References

Xiao-Lei et al. (2013)

Structure 6-O-[β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl]-20-O-[β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl]-20(S)-protopanaxatriol