Name: 2''-O-acetylsaikosaponin A
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214315538
Cas No:102934-42-9
常用名:2''-O-acetylsaikosaponin A
IUPAC:(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
IUPAC:(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
InChI key:SRKDRDBFLMDBPW-GXPBSCBUSA-N

分子式:C44H70O14
分子量:823.03
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)CC[C@@]11CO[C@@]22C=C[C@]3([H])[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6OC(C)=O)[C@H]5O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]2(C)C[C@@H]1O |c:14|
SMILES:[H][C@@]12CC(C)(C)CC[C@@]11CO[C@@]22C=C[C@]3([H])[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6OC(C)=O)[C@H]5O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]2(C)C[C@@H]1O |c:14|

2''-O-acetylsaikosaponin A 是一种天然产物，可用于生命科学领域的相关研究。其产品编号为 TN2781，CAS号为 102934-42-9。

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