GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 642
TrivialName Ginsenoside Ro methyl ester
Type OA
MF C₅₀H₈₀O₁₈
MolecularWeight 969.172
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES C[C@@]12C(CC[C@]3(C)C2CC=C4[C@]3(CC[C@]5(C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)=C)C4CC(C)(C)CC5)C)C(C)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)[C@H](O)[C@@H](C(OC)=O)O7)CC1
Canonical SMILES C=C(OC1OC(CO)C(O)C(O)C1O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)OC)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2
Source PG
Functions NT
Year 2002
References

Zhang et al. (2002)

Structure Ginsenoside Ro methyl ester