Name: Cimicidanol 3-O-alpha-L-arabinoside
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317317
Cas No:161207-05-2
常用名:Cimicidanol 3-O-alpha-L-arabinoside
常用名:Cimicidanol 3-O-alpha-L-arabinoside
IUPAC:(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadec-10-en-14-one
IUPAC:(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadec-10-en-14-one
InChI key:PYBFXJMIKJNNAJ-GZYHAVPISA-N

分子式:C35H52O9
分子量:616.792
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](CC(=O)[C@@H]1OC1(C)C)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@@H]4[C@]5(C[C@@]35[C@@H](O)C[C@]12C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C4(C)C |t:17|
SMILES:C[C@H](CC(=O)[C@@H]1OC1(C)C)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@@H]4[C@]5(C[C@@]35[C@@H](O)C[C@]12C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C4(C)C |t:17|

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