Punicalagin
HIT212651487
sdf文件结构编辑类似物检索
HIT ID: HIT212651487
Cas No: 65995-63-3
分子式: C48H28O30
分子量: 1084.722
常用名: Punicalagin
氢键受体数 (HBA): 24
氢键供体数 (HBD): 17
LogP: 3.9437373
IUPAC: (1R,35R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.0^{4,9}.0^{10,19}.0^{13,18}.0^{16,25}.0^{17,22}.0^{26,31}.0^{38,55}.0^{41,46}.0^{47,52}]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone
IUPAC: (1R,35R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.0^{4,9}.0^{10,19}.0^{13,18}.0^{16,25}.0^{17,22}.0^{26,31}.0^{38,55}.0^{41,46}.0^{47,52}]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone
SMILES: OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
SMILES: OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
InChI key: ZJVUMAFASBFUBG-UYMKNUMKSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
1731-3天98.00% 购物车
Mcule
SC
18094-5周 购物车
Mcule
SC
6074-5周 购物车
TargetMol | Target Loading
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