Name: 6"-apiosyl sec-O-glucosylhamaudol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219228945
Cas No:2254096-95-0
常用名:6"-apiosyl sec-O-glucosylhamaudol
常用名:6"-apiosyl sec-O-glucosylhamaudol
别名:Compound 2254096-95-0, 6"-β-D-芹糖亥茅酚苷
IUPAC:(7S)-7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2,8,8-trimethyl-4H,6H,7H,8H-pyrano[3,2-g]chromen-4-one
IUPAC:(7S)-7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2,8,8-trimethyl-4H,6H,7H,8H-pyrano[3,2-g]chromen-4-one
InChI key:AQGMQVPEEKQMST-HDXMIFIESA-N

分子式:C26H34O14
分子量:570.544
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1cc(=O)c2c(O)c3C[C@H](O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)Oc3cc2o1
SMILES:Cc1cc(=O)c2c(O)c3C[C@H](O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)Oc3cc2o1

6"-apiosyl sec-O-glucosylhamaudol is an aromatic compound exhibiting weak inhibitory activity against SKOV3 (IC50=86 μM).

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