Name: 4-Deoxyphlorizin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214311650
Cas No:31018-48-1
常用名:4-Deoxyphlorizin
IUPAC:1-(3-{[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,6-dihydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one
IUPAC:1-(3-{[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,6-dihydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one
InChI key:HXMSFJJKEPZKLN-RNIPIIRGSA-N

分子式:C42H46O18
分子量:838.812
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC[C@H]1O[C@@H](Oc2c(OC[C@H]3O[C@@H](Oc4cc(O)cc(O)c4C(=O)CCc4ccccc4)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc(O)c2C(=O)CCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:OC[C@H]1O[C@@H](Oc2c(OC[C@H]3O[C@@H](Oc4cc(O)cc(O)c4C(=O)CCc4ccccc4)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc(O)c2C(=O)CCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

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