Name: Lupanol 3-beta-diglucoside
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319823
Cas No:120527-58-4
常用名:Lupanol 3-beta-diglucoside
IUPAC:(2S,3R,4S,5S,6R)-2-[(1S,3aR,5aR,5bR,7aS,11aS,13aR)-3a,5a,5b,8,8,11a-hexamethyl-1-(propan-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]-6-(hydroxymethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
IUPAC:(2S,3R,4S,5S,6R)-2-[(1S,3aR,5aR,5bR,7aS,11aS,13aR)-3a,5a,5b,8,8,11a-hexamethyl-1-(propan-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl]-6-(hydroxymethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
InChI key:SQLBDGHCDJLXIZ-DHWOTCIISA-N

分子式:C42H72O11
分子量:753.027
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(C(C)(C)[C@@H]5CC[C@@]34C)[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12
SMILES:CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(C(C)(C)[C@@H]5CC[C@@]34C)[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12

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