| Compound Information | |
|---|---|
| ID | 8 |
| TrivialName | Ginsenoside Rb1 |
| Type | PPD |
| MF | C₅₄H₉₂O₂₃ |
| MolecularWeight | 1109.307 |
| IUPACName | (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | 1153.5993 |
| Retention Time | 22.6 |
| CCS | 351.07 |
| Adducts | [M−H+HCOOH]− |
| 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[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]8[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO)O8)O7)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)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 | PG |
| Functions | Anti-diabetic, Anti-inflammatory, Anti-angiogenetic, Antiviral, Cardioprotective |
| Toxicity Organism | mouse |
| Toxicity Type | LD50 |
| Toxicity Route | intraperitoneal, intravenous |
| Toxicity Dose | 1110 mg/kg, 243 mg/kg |
| Year | 1974 |
| References | |
| Structure |
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