Name: Tenacissimoside J
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849975
Cas No:
常用名:Tenacissimoside J
IUPAC:(1S,2S,3S,6S,8S,11R,13R,14R,17R,18S,19S)-6-{[(2R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-17-hydroxy-3,13,18-trimethyl-12,20-dioxahexacyclo[11.6.1.0^{2,11}.0^{3,8}.0^{11,17}.0^{14,18}]icosan-19-yl acetate
IUPAC:(1S,2S,3S,6S,8S,11R,13R,14R,17R,18S,19S)-6-{[(2R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-17-hydroxy-3,13,18-trimethyl-12,20-dioxahexacyclo[11.6.1.0^{2,11}.0^{3,8}.0^{11,17}.0^{14,18}]icosan-19-yl acetate
InChI key:OQYXJKUQRVUVQN-BTTSKYSHSA-N

分子式:C37H58O13
分子量:710.858
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@]3(O)[C@]1(C)[C@H](OC(C)=O)[C@@]1([H])O[C@]2(C)O[C@@]32CC[C@@]3([H])C[C@H](CC[C@]3(C)[C@@]12[H])O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1
SMILES:[H][C@@]12CC[C@@]3(O)[C@]1(C)[C@H](OC(C)=O)[C@@]1([H])O[C@]2(C)O[C@@]32CC[C@@]3([H])C[C@H](CC[C@]3(C)[C@@]12[H])O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1

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