Mogroside IV-E
HIT212655852
sdf文件结构编辑类似物检索
HIT ID: HIT212655852
Cas No: 89590-95-4;88915-64-4
分子式: C54H92O24
分子量: 1125.306
常用名: Mogroside IV-E
氢键受体数 (HBA): 24
氢键供体数 (HBD): 16
LogP: -2.704262
IUPAC: (2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bR,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-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-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
IUPAC: (2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bR,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-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-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
SMILES: [H][C@@]12CC[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[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@@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:34|
SMILES: [H][C@@]12CC[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[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@@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:34|
InChI key: WRPAFPPCKSYACJ-KGFBLRRZSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
2671-3天 购物车
Mcule
SC
3504-5周 购物车
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