Tubeimoside II
HIT212651975
sdf文件结构编辑类似物检索
HIT ID: HIT212651975
Cas No: 115810-12-3
分子式: C63H98O30
分子量: 1335.447
常用名: Tubeimoside II
氢键受体数 (HBA): 27
氢键供体数 (HBD): 15
LogP: -2.8244472
IUPAC: (1R,4S,7S,8R,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42R,46S,51R,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,51,55,56,58-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2^{11,14}.2^{22,25}.1^{34,38}.0^{1,46}.0^{4,9}.0^{27,32}.0^{37,42}.0^{45,53}]octapentacont-44-ene-2,16,20-trione
IUPAC: (1R,4S,7S,8R,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42R,46S,51R,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,51,55,56,58-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2^{11,14}.2^{22,25}.1^{34,38}.0^{1,46}.0^{4,9}.0^{27,32}.0^{37,42}.0^{45,53}]octapentacont-44-ene-2,16,20-trione
SMILES: C[C@@H]1O[C@H]2O[C@@H]3[C@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O |t:26|
SMILES: C[C@@H]1O[C@H]2O[C@@H]3[C@H](O)[C@@H](O)CO[C@H]3OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O |t:26|
InChI key: GBWAAJJGXQJTTA-KQCLMCPPSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
2971-3天99.70% 购物车
TargetMol | Target Loading
正在加载 ~