Name: Clinopodiside A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220767728
Cas No:142809-89-0
常用名:Clinopodiside A
IUPAC:(2S,3R,4S,5S,6R)-2-({[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-({[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}methyl)-2,4,5,6-tetramethyl-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl]methoxy}methyl)oxan-3-yl]methoxy}methyl)-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxane-3,4,5-triol
IUPAC:(2S,3R,4S,5S,6R)-2-({[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-({[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}methyl)-2,4,5,6-tetramethyl-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl]methoxy}methyl)oxan-3-yl]methoxy}methyl)-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxane-3,4,5-triol
InChI key:InChIKey=ALPMLOLDYMRZAL-NXBVUZIUSA-N

分子式:C66H114O19
分子量:1211.619
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)CCC2(CO)C(O)CC3(C)C(C=CC4C5(C)CCC(OC[C@]6(C)O[C@](C)(COC[C@]7(C)O[C@](C)(CO)[C@@](C)(O)[C@](C)(O)[C@@]7(C)O)[C@@H](COC[C@]7(C)O[C@](C)(CO)[C@@](C)(O)[C@](C)(O)[C@@]7(C)O)[C@](C)(O)[C@@]6(C)O)C(C)(CO)C5CCC34C)=C2C1
SMILES:CC1(C)CCC2(CO)C(O)CC3(C)C(C=CC4C5(C)CCC(OC[C@]6(C)O[C@](C)(COC[C@]7(C)O[C@](C)(CO)[C@@](C)(O)[C@](C)(O)[C@@]7(C)O)[C@@H](COC[C@]7(C)O[C@](C)(CO)[C@@](C)(O)[C@](C)(O)[C@@]7(C)O)[C@](C)(O)[C@@]6(C)O)C(C)(CO)C5CCC34C)=C2C1

Clinopodiside A 是一种从 Clinopodium polycephalum 中分离出来的三萜皂苷，具有抗肿瘤活性，通过 T24 膀胱癌细胞中 BLK 和 RasGRP2 信号传导介导的自噬诱导细胞毒性。

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