Name: Charantin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212671767
Cas No:57126-62-2
常用名:Charantin
IUPAC:(3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-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; bis((3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-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:(3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-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; bis((3R,4S,5S,6R)-2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-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:OHVYCELRHUJPFH-CZVRGWHYSA-N

分子式:C105H178O18
分子量:1728.561
氢键供体数 (HBD):4
氢键受体数 (HBA):6
LogP:6.0736413
SMILES:[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)=C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:26,74,122|
SMILES:[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)=C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:26,74,122|

Charantin is a steroidal saponin isolated from Momordica charantia. It increases the release of insulin and slowing down gluconeogenesis. Charantin can inhibit GSK-3.

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