Name: Nudifloside B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316080
Cas No:297740-98-8
常用名:Nudifloside B
IUPAC:methyl (2S,3E,4S)-3-ethylidene-4-(2-{[(5R,6S,7S,9S,10R,15S,16E,17S)-16-ethylidene-5,9-dimethyl-2,13-dioxo-17-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.0^{6,10}]nonadec-1(19)-en-7-yl]oxy}-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-{[(5R,6S,7S,9S,10R,15S,16E,17S)-16-ethylidene-5,9-dimethyl-2,13-dioxo-17-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.0^{6,10}]nonadec-1(19)-en-7-yl]oxy}-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:MTAJKOPZPBBTGY-GKGRVPSRSA-N

分子式:C43H60O22
分子量:928.931
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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SMILES:[H][C@]12COC(=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)OC[C@H](C)[C@]1([H])[C@H](C[C@@H]2C)OC(=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:27,67|

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