Name: Ligurobustoside N
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885825
Cas No:
常用名:Ligurobustoside N
IUPAC:(2R,3R,4R,5R,6R)-4-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC:(2R,3R,4R,5R,6R)-4-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI key:SQXKPAMOLXJEEU-JPFVNJEUSA-N

分子式:C35H46O18
分子量:754.735
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](OCCc4ccc(O)cc4)O[C@H](CO)[C@H]3OC(=O)\C=C\c3ccc(O)c(O)c3)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](OCCc4ccc(O)cc4)O[C@H](CO)[C@H]3OC(=O)\C=C\c3ccc(O)c(O)c3)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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