Name: Stauntosaponin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316209
Cas No:1417887-91-2
常用名:Stauntosaponin A
IUPAC:(2R,3R,4R,6R)-6-{[(1R,4R,5R,8S,16S,19S,22R)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0^{1,14}.0^{4,13}.0^{5,10}.0^{19,22}]docosa-9,11,13-trien-8-yl]oxy}-4-methoxy-2-methyloxan-3-ol
IUPAC:(2R,3R,4R,6R)-6-{[(1R,4R,5R,8S,16S,19S,22R)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0^{1,14}.0^{4,13}.0^{5,10}.0^{19,22}]docosa-9,11,13-trien-8-yl]oxy}-4-methoxy-2-methyloxan-3-ol
InChI key:KNFHQIUXHMJLPI-IXHFUHRASA-N

分子式:C28H38O7
分子量:486.605
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CO[C@]3(C)OC[C@@]4(CC[C@@]5([H])C(C=CC6=C[C@H](CC[C@]56C)O[C@H]5C[C@@H](OC)[C@H](O)[C@@H](C)O5)=C4O1)[C@]23[H] |c:14,36,t:16|
SMILES:[H][C@]12CO[C@]3(C)OC[C@@]4(CC[C@@]5([H])C(C=CC6=C[C@H](CC[C@]56C)O[C@H]5C[C@@H](OC)[C@H](O)[C@@H](C)O5)=C4O1)[C@]23[H] |c:14,36,t:16|

Stauntosaponin A and stauntosaponin B show moderate inhibitory activities against Na+/K+-ATPase with IC50 values of 21 and 29 uM, respectively.

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