3,4,5-Trihydroxyallylbenzene 3,4-di-O-glucoside
HIT214317225
sdf文件结构编辑类似物检索
HIT ID: HIT214317225
Cas No: 2172431-63-7
分子式: C21H30O13
分子量: 490.458
常用名: 3,4,5-Trihydroxyallylbenzene 3,4-di-O-glucoside
常用名: 3,4,5-Trihydroxyallylbenzene 3,4-di-O-glucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-(prop-2-en-1-yl)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC: (2S,3R,4S,5S,6R)-2-[2-hydroxy-4-(prop-2-en-1-yl)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: OC[C@H]1O[C@@H](Oc2cc(CC=C)cc(O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](Oc2cc(CC=C)cc(O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: SKCFHQIJSVZZQW-CIFMYMHHSA-N
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