Name: Hythiemoside A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665559
Cas No:853267-91-1
常用名:Hythiemoside A
IUPAC:(2R)-2-[(2S,4aR,4bS,7R,8aS)-2,4b,8,8-tetramethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]-2-hydroxyethyl acetate
IUPAC:(2R)-2-[(2S,4aR,4bS,7R,8aS)-2,4b,8,8-tetramethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]-2-hydroxyethyl acetate
InChI key:ITRHSIFUIWDEGO-CHUAXZJFSA-N

分子式:C28H46O9
分子量:526.667
氢键供体数 (HBD):5
氢键受体数 (HBA):8
LogP:1.2632838
SMILES:CC(=O)OC[C@H](O)[C@@]1(C)CC[C@@H]2C(CC[C@@H]3C(C)(C)[C@@H](CC[C@@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 |c:38|
SMILES:CC(=O)OC[C@H](O)[C@@]1(C)CC[C@@H]2C(CC[C@@H]3C(C)(C)[C@@H](CC[C@@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 |c:38|

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