Name: Compound T128080
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212525680
Cas No:
常用名:Compound T128080
别名:(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-{[(2E,6E)-3,7-dimethyl-8-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,6-dien-1-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate
别名:(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-{[(2E,6E)-3,7-dimethyl-8-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,6-dien-1-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate
IUPAC:(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-{[(2E,6E)-3,7-dimethyl-8-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,6-dien-1-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate
IUPAC:(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-{[(2E,6E)-3,7-dimethyl-8-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,6-dien-1-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate
InChI key:IRKCVUSKQYRUAC-BJWFIYQRSA-N

分子式:C35H58O19
分子量:782.83
氢键供体数 (HBD):9
氢键受体数 (HBA):18
LogP:-1.65
SMILES:C[C@@H]1O[C@@H](OC\C(C)=C\CC\C(C)=C\CO[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
SMILES:C[C@@H]1O[C@@H](OC\C(C)=C\CC\C(C)=C\CO[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-{[(2E,6E)-3,7-dimethyl-8-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}octa-2,6-dien-1-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate是一种高纯度生化试剂，可用于生物化学实验和药物合成研究。

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