Name: Rehmannioside D
Rating: 5 (10 reviews)

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HIT ID:HIT212658896
Cas No:81720-08-3
常用名:Rehmannioside D
别名:地黄甙 D
IUPAC:(2S,3R,4S,5S,6R)-2-{[(1S,4aR,5R,7aR)-4a-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2S,3R,4S,5S,6R)-2-{[(1S,4aR,5R,7aR)-4a-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:JQEFRKPLHFKTFL-LJMWFTDWSA-N

分子式:C27H42O20
分子量:686.613
氢键供体数 (HBD):13
氢键受体数 (HBA):20
LogP:-7.387901
SMILES:OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)C=C(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:38|
SMILES:OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)C=C(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |c:8,t:38|

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