Name: 3,3'-Di-O-methylellagic acid-4'-O-β-D-glucopyranoside
Rating: 5 (10 reviews)

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HIT ID:HIT104548602
Cas No:51803-68-0
常用名:3,3'-Di-O-methylellagic acid-4'-O-β-D-glucopyranoside
常用名:3,3'-Di-O-methylellagic acid-4'-O-β-D-glucopyranoside
别名:3,3'-二-O-甲基柔花酸-4'-O-BETA-D-吡喃葡萄糖苷, 3,3'-Di-O-methylellagic acid 4'-glucoside
别名:3,3'-二-O-甲基柔花酸-4'-O-BETA-D-吡喃葡萄糖苷, 3,3'-Di-O-methylellagic acid 4'-glucoside
IUPAC:6-hydroxy-7,14-dimethoxy-13-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
IUPAC:6-hydroxy-7,14-dimethoxy-13-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
InChI key:PNYQFRZBMVRYFC-CGWYSGAGSA-N

分子式:C22H20O13
分子量:492.389
氢键供体数 (HBD):5
氢键受体数 (HBA):11
LogP:-0.96
SMILES:COc1c(O)cc2c3c1oc(=O)c1cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(oc2=O)c31
SMILES:COc1c(O)cc2c3c1oc(=O)c1cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(oc2=O)c31

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