Name: Complanatoside B
Rating: 5 (10 reviews)

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HIT ID:HIT212661418
Cas No:142473-99-2
常用名:Complanatoside B
别名:沙苑子苷B, 3-O-Β-D-芹糖(1-2)-Β-D-葡萄糖-鼠李柠檬素4'-O-Β-D-葡萄糖苷
别名:沙苑子苷B, 3-O-Β-D-芹糖(1-2)-Β-D-葡萄糖-鼠李柠檬素4'-O-Β-D-葡萄糖苷
IUPAC:3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
IUPAC:3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
InChI key:YCXFPUHHUJNTNY-CUCHOISXSA-N

分子式:C33H40O20
分子量:756.663
氢键供体数 (HBD):11
氢键受体数 (HBA):20
LogP:-3.239943
SMILES:COc1cc(O)c2c(c1)oc(-c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O)c2=O
SMILES:COc1cc(O)c2c(c1)oc(-c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O)c2=O

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