Name: 3α-Hydroxymogroside IA1
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212666782
Cas No:
常用名:3α-Hydroxymogroside IA1
IUPAC:(2S,3R,4S,5S,6R)-2-{[(3R,6R)-6-[(1R,3aS,3bS,7R,9aR,9bR,10R,11aR)-7,10-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-2-methylheptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2S,3R,4S,5S,6R)-2-{[(3R,6R)-6-[(1R,3aS,3bS,7R,9aR,9bR,10R,11aR)-7,10-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-2-methylheptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:UNCMRQFSKAVFQU-KAHITPSDSA-N

分子式:C36H62O9
分子量:638.883
氢键供体数 (HBD):7
氢键受体数 (HBA):9
LogP:2.608245
SMILES:[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@@H](O)C4(C)C)[C@]3(C)[C@H](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)C4(C)C)[C@]3(C)[C@H](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|

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