Name: Loganic acid 6′-O-β-D-glucoside
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212687480
Cas No:176226-39-4
常用名:Loganic acid 6′-O-β-D-glucoside
别名:8-Epi-Loganic acid-6'-O-β-D-glucoside
IUPAC:(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid
IUPAC:(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid
InChI key:XCXZPJYVZYGBQA-QKPADMPASA-N

分子式:C22H34O15
分子量:538.499
氢键供体数 (HBD):9
氢键受体数 (HBA):15
LogP:-3.9872086
SMILES:C[C@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |c:35|
SMILES:C[C@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |c:35|

Loganic acid 6′-O-β-D-glucoside (8-Epi-Loganic acid-6'-O-β-D-glucoside) 是 Cistanche deserticola 的天然产物，可抑制 LPS 诱导的 NO 和 TNF-α 的产生。

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