Name: 11-Oxomogroside IIe
Rating: 5 (10 reviews)

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HIT ID:HIT212666692
Cas No:918972-06-2
常用名:11-Oxomogroside IIe
别名:11-氧-罗汉果皂甙IIe
IUPAC:(1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-6-hydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,6,6,9b,11a-pentamethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
IUPAC:(1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-6-hydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,6,6,9b,11a-pentamethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
InChI key:TUFDSEMWRYIOBO-SBBXLVFCSA-N

分子式:C42H70O14
分子量:799.008
氢键供体数 (HBD):9
氢键受体数 (HBA):14
LogP:1.4009368
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@H](C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O |c:9|
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@H](C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O |c:9|

11-Oxomogroside IIe is a triterpene glycoside isolated from Siraitia grosvenori [1].

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