| Compound Information | |
|---|---|
| ID | 63 |
| TrivialName | 20(S)-Ginsenoside Rg3 |
| Type | PPD |
| MF | C₄₂H₇₂O₁₃ |
| MolecularWeight | 785.025 |
| IUPACName | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | 829.4944 |
| Retention Time | 49.49 |
| CCS | 303.81 |
| Adducts | NT |
| Isomeric SMILES | CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]4(C)C1CC[C@]5(C)C4C[C@@H](O)C6[C@@]5(C)CCC6[C@@](C)(O[H])CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | RG |
| Functions | antineoplastic agent, angiogenesis modulating agent, apoptosis inducer |
| Toxicity Organism | mouse |
| Toxicity Type | LD50 |
| Toxicity Route | intraperitoneal |
| Toxicity Dose | 1250 mg/kg |
| Year | 1983 |
| References | |
| Structure |
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