Name: Jasmoside
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315985
Cas No:97763-17-2
常用名:Jasmoside
IUPAC:methyl (2S,3E,4S)-3-ethylidene-4-(2-{2-[(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-17-methyl-3,11-dioxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0^{4,9}]heptadec-4-en-15-yl]propoxy}-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-{2-[(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-17-methyl-3,11-dioxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0^{4,9}]heptadec-4-en-15-yl]propoxy}-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:GZBCQRQJJVIXDD-BKWVLOCKSA-N

分子式:C43H60O22
分子量:928.931
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@H](C(C)COC(=O)C[C@H]3\C(=C/C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)OC)[C@]([H])(COC(=O)C[C@@]3([H])\C(=C/C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O1)[C@H]2C |c:30,64|
SMILES:[H][C@]12C[C@@H](C(C)COC(=O)C[C@H]3\C(=C/C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)OC)[C@]([H])(COC(=O)C[C@@]3([H])\C(=C/C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O1)[C@H]2C |c:30,64|

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