Name: Mogroside I E1
Rating: 5 (10 reviews)

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HIT ID:HIT212666103
Cas No:88901-39-7
常用名:Mogroside I E1
别名:罗汉果苷 I E1
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-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)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-10-hydroxy-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:LLZGAVAIPZROOJ-FDWAMWGASA-N

分子式:C36H62O9
分子量:638.883
氢键供体数 (HBD):7
氢键受体数 (HBA):9
LogP:2.608245
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O |c:9|
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O |c:9|

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