ANAGALLOSAPONIN III
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Name
ANAGALLOSAPONIN III
IUPAC name
(6aR,6bS,8R,8aR,9S,12bS,14bR)-3-(((2S,3R,4R,5R)-5-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2R,3S,4R,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-9-yl acetate
SMILES
O[C@@H]1C[C@]([C@@]2(C)C([C@]3(C)C(C(C)(C)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O[C@@H]6[C@@H](O)[C@H](O)[C@@H](O)CO6)[C@@H](O)[C@H](O)[C@H](O5)CO)CO4)CC3)CC2)CC7)(C)[C@@]7(OC8)C9[C@]18[C@@H](OC(C)=O)CC(C)(C)C9
Molecular formula
C48H78O18
Molecular weight
943.13 g/mol
Monoisotopic mass
942.5188 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Lysimachia arvensis (L.) U.Manns & Anderb. | - | - |
Shoji, N., Umeyama, A., Yoshikawa, K., Arihara, S. (1994). Structures of anagallosaponins 1-v and their companion substances from Anagallis arvensis L. Chem Pharm Bull, 42(9), 1750-1755 doi:10.1248/cpb.42.1750
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