GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 440
TrivialName 6-O-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl]-20-O-β-D-glucopyranosyl-dammarane-3β,6α,12β,20S,24S,25-hexaol (ginsenoside S3)
Type C17-side chain varied
MF C₄₈H₈₄O₂₀
MolecularWeight 981.18
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O)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](C)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](CO)O7)CC[C@@H](O)C(C)(O)C
Canonical SMILES CC1OC(OC2C(OC3CC4(C)C(CC(O)C5C(C(C)(CCC(O)C(C)(C)O)OC6OC(CO)C(O)C(O)C6O)CCC54C)C4(C)CCC(O)C(C)(C)C34)OC(CO)C(O)C2O)C(O)C(O)C1O
Source PG
Functions Antioxidant, airway protection
Year 2019
References

Qi et al. (2019)

Structure 6-O-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl]-20-O-β-D-glucopyranosyl-dammarane-3β,6α,12β,20S,24S,25-hexaol (ginsenoside S3)