Name: Solasurine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212664994
Cas No:27028-76-8
常用名:Solasurine
别名:澳茄新碱
IUPAC:(2S,3R,4R,5R,6S)-6-methyl-2-[(1S,2S,4S,5'R,6S,7S,8R,9S,12S,13R,16R)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-18-en-16-yl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
IUPAC:(2S,3R,4R,5R,6S)-6-methyl-2-[(1S,2S,4S,5'R,6S,7S,8R,9S,12S,13R,16R)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-18-en-16-yl]-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
InChI key:KSQFFZXBIZZJDD-OBDBQDGNSA-N

分子式:C39H63NO11
分子量:721.929
氢键供体数 (HBD):8
氢键受体数 (HBA):12
LogP:1.9069587
SMILES:[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@]1(CC[C@@H](C)CN1)O2)[C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:8|
SMILES:[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@]1(CC[C@@H](C)CN1)O2)[C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:8|

Solasurine is a natural product with dissipate blood stasis and detumescence, relieve pain and pull poison.

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