Momordin Ic
HIT212657755
sdf文件结构编辑类似物检索
HIT ID: HIT212657755
Cas No: 96990-18-0
分子式: C41H64O13
分子量: 764.95
常用名: Momordin Ic
氢键受体数 (HBA): 13
氢键供体数 (HBD): 7
LogP: 4.003772
IUPAC: (2R,3R,4R,5S,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,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-{[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
IUPAC: (2R,3R,4R,5S,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,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-{[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H]([C@H](O)[C@@H](O[C@H]7OC[C@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H]([C@H](O)[C@@H](O[C@H]7OC[C@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|
InChI key: HWYBGIDROCYPOE-FHPGXLOVSA-N
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