Name: Ruscin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619670
Cas No:39491-41-3
常用名:Ruscin
IUPAC:(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5S,6S)-2-{[(2R,3S,5R)-4,5-dihydroxy-2-[(1'S,2R,4'S,7'S,9'S,13'R,14'R,16'S)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-14'-oloxy]oxan-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5S,6S)-2-{[(2R,3S,5R)-4,5-dihydroxy-2-[(1'S,2R,4'S,7'S,9'S,13'R,14'R,16'S)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-14'-oloxy]oxan-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:InChIKey=LBBBWHJWPKKHAK-IHIHBKGISA-N

分子式:C44H68O17
分子量:869.011
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:-0.281
SMILES:C[C@H]1C2[C@H](CC3[C@@H]4CC=C5C[C@@H](C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@H]2OC[C@@H](O)C(O)[C@@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@]11CCC(=C)CO1
SMILES:C[C@H]1C2[C@H](CC3[C@@H]4CC=C5C[C@@H](C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@H]2OC[C@@H](O)C(O)[C@@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@]11CCC(=C)CO1

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