Name: Dehydrologanin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT103562547
Cas No:152-91-0
常用名:Dehydrologanin
IUPAC:methyl 7-methyl-6-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
IUPAC:methyl 7-methyl-6-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
InChI key:LPOVXLVQNSEZGE-ODHYQHNJSA-N

分子式:C17H24O10
分子量:388.369
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:-1.45
SMILES:COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C(C)C(=O)CC12 |t:4|
SMILES:COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C(C)C(=O)CC12 |t:4|

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