Name: 3,4-Dihydroxyallylbenzene 3,4-di-O-glucoside
Rating: 5 (10 reviews)

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HIT ID:HIT104975073
Cas No:454473-97-3
常用名:3,4-Dihydroxyallylbenzene 3,4-di-O-glucoside
常用名:3,4-Dihydroxyallylbenzene 3,4-di-O-glucoside
IUPAC:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-(prop-2-en-1-yl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol
IUPAC:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-(prop-2-en-1-yl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol
InChI key:SFQLDKSMEHBZRN-LWZURRPWSA-N

分子式:C21H30O12
分子量:474.459
氢键供体数 (HBD):8
氢键受体数 (HBA):12
LogP:-2.071
SMILES:OC[C@H]1O[C@@H](Oc2ccc(CC=C)cc2O[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](Oc2ccc(CC=C)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

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