Name: Grayanoside D
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT103022963
Cas No:74285-17-9
常用名:Grayanoside D
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,2R,4R,6R,7R,10R,11S,12S,14S)-2,6-dihydroxy-6,11,15,15-tetramethyl-16-oxapentacyclo[8.5.1.1^{4,7}.0^{1,12}.0^{4,10}]heptadecan-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,2R,4R,6R,7R,10R,11S,12S,14S)-2,6-dihydroxy-6,11,15,15-tetramethyl-16-oxapentacyclo[8.5.1.1^{4,7}.0^{1,12}.0^{4,10}]heptadecan-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:KAJCSJKPPLRWPG-NUTWDAEISA-N

分子式:C26H42O9
分子量:498.613
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:-0.442
SMILES:C[C@H]1[C@@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@]22O[C@]11CC[C@@H]3C[C@]1(C[C@@]3(C)O)C[C@H]2O
SMILES:C[C@H]1[C@@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@]22O[C@]11CC[C@@H]3C[C@]1(C[C@@]3(C)O)C[C@H]2O

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