Name: Momordin I
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212524412
Cas No:95851-40-4
常用名:Momordin I
IUPAC:(2S,3S,4S,5R,6R)-6-{[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6R)-6-{[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
InChI key:HWYBGIDROCYPOE-PPWYEZKPSA-N

分子式:C41H64O13
分子量:764.95
氢键供体数 (HBD):7
氢键受体数 (HBA):13
LogP:4.004
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)C(O)=O)C(C)(C)C3CC[C@@]12C)C(O)=O |t:15|
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)C(O)=O)C(C)(C)C3CC[C@@]12C)C(O)=O |t:15|

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