Name: Ikshusterol 3-O-glucoside
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214315955
Cas No:112137-81-2
常用名:Ikshusterol 3-O-glucoside
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bS,4S,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bS,4S,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:CPVAKQVYNLPUBL-MSLCHGNTSA-N

分子式:C35H60O7
分子量:592.858
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CC[C@@H](CC)C(C)C |t:10|
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CC[C@@H](CC)C(C)C |t:10|

Ikshusterol 3-O-glucoside has a potent snake-venom neutralizing capacity and it might be a potential molecule for the therapeutic treatment for snakebites.

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