Name: Oenothein B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214432622
Cas No:104987-36-2
常用名:Oenothein B
别名:月见草素B
IUPAC:(11R,12R,14R,15R,37R,38R,40R,57R,58S,64S)-4,5,6,12,20,21,22,30,31,32,38,46,47,48,51,52,59,60-octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.3^{14,25}.2^{24,27}.1^{11,15}.0^{3,8}.0^{18,23}.0^{29,34}.0^{40,57}.0^{44,49}.0^{50,54}]tetrahexaconta-1(52),3,5,7,18(23),19,21,24(60),25,27(59),29,31,33,44,46,48,50,53-octadecaen-58-yl 3,4,5-trihydroxybenzoate
IUPAC:(11R,12R,14R,15R,37R,38R,40R,57R,58S,64S)-4,5,6,12,20,21,22,30,31,32,38,46,47,48,51,52,59,60-octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.3^{14,25}.2^{24,27}.1^{11,15}.0^{3,8}.0^{18,23}.0^{29,34}.0^{40,57}.0^{44,49}.0^{50,54}]tetrahexaconta-1(52),3,5,7,18(23),19,21,24(60),25,27(59),29,31,33,44,46,48,50,53-octadecaen-58-yl 3,4,5-trihydroxybenzoate
InChI key:YSLFLCIPPPJEHH-REWRZFNASA-N

分子式:C68H48O44
分子量:1569.088
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4Oc5c(O)c(O)c(O)cc5C(=O)O[C@H]5[C@H](O)O[C@@H]6COC(=O)c7cc(Oc8c(O)c(O)c(O)cc8C(=O)O[C@@H]1[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]2OC(=O)c3c4)c(O)c(O)c7-c1c(O)c(O)c(O)cc1C(=O)O[C@H]6[C@@H]5OC(=O)c1cc(O)c(O)c(O)c1
SMILES:O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4Oc5c(O)c(O)c(O)cc5C(=O)O[C@H]5[C@H](O)O[C@@H]6COC(=O)c7cc(Oc8c(O)c(O)c(O)cc8C(=O)O[C@@H]1[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]2OC(=O)c3c4)c(O)c(O)c7-c1c(O)c(O)c(O)cc1C(=O)O[C@H]6[C@@H]5OC(=O)c1cc(O)c(O)c(O)c1

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