Name: Compound TN12134
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT217565443
Cas No:107172-40-7
常用名:Compound TN12134
别名:[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S)-4-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
别名:[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S)-4-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
IUPAC:[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S)-4-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
IUPAC:[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S)-4-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI key:CZRAPNGXDBHAHC-QRKNBMPCSA-N

分子式:C32H38O17
分子量:694.639
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:0.616
SMILES:COc1cc(\C=C\C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
SMILES:COc1cc(\C=C\C(=O)OC[C@H]2O[C@H](O[C@@]3(CO)O[C@@H](CO)[C@H](O)[C@H]3OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S)-4-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 是一种从植物中分离到的碳水化合物。

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