Name: Jasnudifloside A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219228955
Cas No:244230-20-4
常用名:Jasnudifloside A
IUPAC:methyl (2S,3E,4S)-3-ethylidene-4-(2-{[(1S,2R,3S,5S)-3-({2-[(2S,3E,4S)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)-5-[(2R)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
IUPAC:methyl (2S,3E,4S)-3-ethylidene-4-(2-{[(1S,2R,3S,5S)-3-({2-[(2S,3E,4S)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)-5-[(2R)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy}-2-oxoethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
InChI key:PEVWIGNKOSRYCF-GMAOUTJVSA-N

分子式:C44H64O23
分子量:960.973
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(C[C@H](OC(=O)C[C@H]2\C(=C/C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OC)[C@H](C)[C@H]1COC(=O)C[C@H]1\C(=C/C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC)[C@@H](C)CO
SMILES:[H][C@]1(C[C@H](OC(=O)C[C@H]2\C(=C/C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OC)[C@H](C)[C@H]1COC(=O)C[C@H]1\C(=C/C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC)[C@@H](C)CO

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