Name: Genipin 1-β-D-gentiobioside
Rating: 5 (10 reviews)

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HIT ID:HIT101574743
Cas No:29307-60-6
常用名:Genipin 1-β-D-gentiobioside
别名:京尼平龙胆双糖苷, 京尼平-1-Β-D-龙胆双糖苷, genipin-1-b-D-gentiobioside, Genipin gentiobioside, Genipin 1-β-gentiobioside, Genipin 1-gentiobioside
别名:京尼平龙胆双糖苷, 京尼平-1-Β-D-龙胆双糖苷, genipin-1-b-D-gentiobioside, Genipin gentiobioside, Genipin 1-β-gentiobioside, Genipin 1-gentiobioside
IUPAC:methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
IUPAC:methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
InChI key:FYZYXYLPBWLLGI-AUOPOVQUSA-N

分子式:C23H34O15
分子量:550.51
氢键供体数 (HBD):8
氢键受体数 (HBA):14
LogP:-3.986
SMILES:COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC=C2CO |c:37,t:4|
SMILES:COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC=C2CO |c:37,t:4|

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