Name: Damulin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315807
Cas No:1202868-74-3
常用名:Damulin A
别名:达木林 A
IUPAC:(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7R,8R,9aR,9bR,11R,11aR)-8,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2E)-6-methylhepta-2,5-dien-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7R,8R,9aR,9bR,11R,11aR)-8,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2E)-6-methylhepta-2,5-dien-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:BMSPHMYCTYOUPF-SNVBIOCGSA-N

分子式:C42H70O13
分子量:783.009
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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SMILES:[H][C@@]12[#6@H](-[#6]-[#6][C@@]1([#6])[C@]1([#6])[#6]-[#6][C@@]3([H])C([#6])([#6])[#6@@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])-[#6@H](-[#8])-[#6][C@]3([#6])[C@@]1([H])[#6]-[#6@H]2-[#8])-[#6](\[#6])=[#6]\[#6]\[#6]=[#6](\[#6])-[#6]

Damulin A 是从 Gynostemma pentaphyllum 中分离出的达玛烷型皂苷，其与结构相关化合物的抗癌结构–活性关系已被深入研究。比较研究表明，C20(21) 与 C20(22) 双键以及 C-2 位羟基修饰显著促进其细胞毒性，在 A549 细胞中表现出显著的增殖抑制作用，突显 Damulin A 在绞股蓝来源抗癌先导化合物中的重要地位。

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