Name: Oleanolic acid 28-O-β-D-glucopyranoside
Rating: 5 (10 reviews)

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HIT ID:HIT212665305
Cas No:14162-53-9
常用名:Oleanolic acid 28-O-β-D-glucopyranoside
常用名:Oleanolic acid 28-O-β-D-glucopyranoside
别名:齐墩果酸 beta-D-吡喃葡萄糖基酯, β-D-Glucopyranosyl oleanolate, Beta-D-glucopyranosyl oleanolate
别名:齐墩果酸 beta-D-吡喃葡萄糖基酯, β-D-Glucopyranosyl oleanolate, Beta-D-glucopyranosyl oleanolate
IUPAC:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
IUPAC:(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
InChI key:KMKFOIBUKYMVRJ-YHFBEQRYSA-N

分子式:C36H58O8
分子量:618.852
氢键供体数 (HBD):5
氢键受体数 (HBA):7
LogP:4.3267655
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:15|
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:15|

Oleanolic acid 28-O-β-D-glucopyranoside (Beta-D-glucopyranosyl oleanolate) 是分离自Achyranthes bidentata 根中的一种皂苷。

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