Name: Mogroside IIe
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212665024
Cas No:88901-38-6
常用名:Mogroside IIe
别名:罗汉果苷IIE
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-10-hydroxy-1-[(2R,5R)-6-hydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-10-hydroxy-1-[(2R,5R)-6-hydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:WVXIMWMLKSCVTD-JLRHFDOOSA-N

分子式:C42H72O14
分子量:801.024
氢键供体数 (HBD):10
氢键受体数 (HBA):14
LogP:0.8374092
SMILES:[H][C@@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)CC[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)O)[C@@]3(C)C[C@@H](O)[C@@]21C |c:22|
SMILES:[H][C@@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)CC[C@H]([C@H](C)CC[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)O)[C@@]3(C)C[C@@H](O)[C@@]21C |c:22|

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