Name: Gypsogenin-3-O-glucuronide
Rating: 5 (10 reviews)

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HIT ID:HIT212664532
Cas No:96553-02-5
常用名:Gypsogenin-3-O-glucuronide
别名:丝石竹皂苷元3-O-Β-D-葡萄糖醛酸甲酯, 丝石竹皂苷元-3-O-β-D-葡萄糖醛酸甲酯, Methyl gypsogenin 3-O-beta-D-glucuronopy
别名:丝石竹皂苷元3-O-Β-D-葡萄糖醛酸甲酯, 丝石竹皂苷元-3-O-β-D-葡萄糖醛酸甲酯, Methyl gypsogenin 3-O-beta-D-glucuronopy
IUPAC:(4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:LHZZULHOQSQSJN-UPGAAKEKSA-N

分子式:C37H56O10
分子量:660.845
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:4.3232427
SMILES:COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)C=O)[C@H](O)[C@@H](O)[C@@H]1O |t:21|
SMILES:COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)C=O)[C@H](O)[C@@H](O)[C@@H]1O |t:21|

Gypsogenin-3-O-glucuronide (Methyl gypsogenin 3-O-beta-D-glucuronopy) 是一种皂角苷前体，普遍存在于满天星属植物中。

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