GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 735
TrivialName Scoposides E
Type OA
MF C₄₆H₇₄O₁₅
MolecularWeight 867.083000000001
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]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](C)O3)[C@@H](O)CO2)CC[C@@]5(C)C1CC[C@]6(C)C5CC=C7[C@@]6(C)CC[C@]8(C(O)=O)C7CC(C)(C)CC8
Canonical SMILES CC1OC(OC2C(O)COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Source PN
Functions anti-microbial
Year 2012
References

Mao et al. (2012)

Structure Scoposides E