Name: 11(α)-Methoxysaikosaponin F
Rating: 5 (10 reviews)

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HIT ID:HIT212665115
Cas No:104109-37-7
常用名:11(α)-Methoxysaikosaponin F
别名:11alpha-Methoxysaikosaponin F, 11(α)-甲氧基柴胡皂苷 F
别名:11alpha-Methoxysaikosaponin F, 11(α)-甲氧基柴胡皂苷 F
IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-6-{[(3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4,5-dihydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-6-{[(3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4,5-dihydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
InChI key:QUBQEHLOFWDOPC-OZRHACRWSA-N

分子式:C49H82O18
分子量:959.177
氢键供体数 (HBD):11
氢键受体数 (HBA):18
LogP:0.11623081
SMILES:CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@H](CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O |t:3|
SMILES:CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@H](CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O |t:3|

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