GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 179
TrivialName (20S)-20-O-[β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl]dammar-24-ene-3β,6α,12β,20-tetrol
Type PPT
MF C₄₇H₈₀O₁₈
MolecularWeight 933.139
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[H])C[C@]3(C)C2C[C@@H](O[H])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](CO[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)O6)O5)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
Source PN
Functions NT
Year 2014
References

Qiu et al. (2014)

Structure (20S)-20-O-[β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl]dammar-24-ene-3β,6α,12β,20-tetrol