11-Deoxymogroside IIE
HIT212666688
sdf文件结构编辑类似物检索
HIT ID: HIT212666688
Cas No: T10039
分子式: C42H72O13
分子量: 785.025
常用名: 11-Deoxymogroside IIE
氢键受体数 (HBA): 13
氢键供体数 (HBD): 9
LogP: 2.0682201
IUPAC: (3R,4S,5S,6R)-2-{[(3aS,7S,9bR,11aR)-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: (3R,4S,5S,6R)-2-{[(3aS,7S,9bR,11aR)-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
SMILES: C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C |c:29|
SMILES: C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C |c:29|
InChI key: MFGRLLKGMUFIPT-FMOQIQQKSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
2465 购物车
Mcule
SC
30574-5周 购物车
TargetMol | Target Loading
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