Name: Lemmatoxin C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212714607
Cas No:52230-11-2
常用名:Lemmatoxin C
IUPAC:(6aS)-10-{[(2R,3R,4S,5S,6R)-3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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-carboxylic acid
IUPAC:(6aS)-10-{[(2R,3R,4S,5S,6R)-3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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-carboxylic acid
InChI key:QMJCVEOVVBBZDW-XGJOVNJQSA-N

分子式:C48H78O17
分子量:927.135
氢键供体数 (HBD):10
氢键受体数 (HBA):17
LogP:2.3292365
SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CC[C@@]43C)C(O)=O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O |t:42|
SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CC[C@@]43C)C(O)=O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O |t:42|

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