Name: Compound T128518
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212524936
Cas No:
常用名:Compound T128518
别名:3-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl 3-methylbutanoate
别名:3-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl 3-methylbutanoate
IUPAC:3-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl 3-methylbutanoate
IUPAC:3-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl 3-methylbutanoate
InChI key:RVDHWDVSTPQDPD-AGULHSLDSA-N

分子式:C21H38O12
分子量:482.523
氢键供体数 (HBD):6
氢键受体数 (HBA):11
LogP:-1.49
SMILES:CC(C)CC(=O)OCCC(C)(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
SMILES:CC(C)CC(=O)OCCC(C)(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

3-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl 3-methylbutanoate 是一种从植物中分离到的碳水化合物。

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