Name: 7-O-Ethylmorroniside
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665220
Cas No:945721-10-8
常用名:7-O-Ethylmorroniside
别名:金银花, 7-乙氧基莫诺苷, 7-氧乙基莫诺苷, 7-O-ethyl-morroniside
别名:金银花, 7-乙氧基莫诺苷, 7-氧乙基莫诺苷, 7-O-ethyl-morroniside
IUPAC:methyl (1S,4aS,6R,8S,8aS)-6-ethoxy-8-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylate
IUPAC:methyl (1S,4aS,6R,8S,8aS)-6-ethoxy-8-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylate
InChI key:IRKFOLIBBQDADK-LEYKIWRXSA-N

分子式:C19H30O11
分子量:434.438
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:-0.9786643
SMILES:CCO[C@H]1C[C@H]2[C@@H]([C@H](C)O1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |c:26|
SMILES:CCO[C@H]1C[C@H]2[C@@H]([C@H](C)O1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |c:26|

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