Name: Terchebulin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212522541
Cas No:
常用名:Terchebulin
IUPAC:(12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,40,43,44,55-hexadecahydroxy-2,10,13,16,31,34,46,53-octaoxaundecacyclo[46.7.1.0^{3,8}.0^{12,33}.0^{15,32}.0^{18,23}.0^{24,29}.0^{36,41}.0^{42,51}.0^{45,50}.0^{49,54}]hexapentaconta-1(55),3,5,7,18(23),19,21,24(29),25,27,36(41),37,39,42(51),43,45(50),48(56),49(54)-octadecaene-9,17,30,35,47,52-hexone
IUPAC:(12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,40,43,44,55-hexadecahydroxy-2,10,13,16,31,34,46,53-octaoxaundecacyclo[46.7.1.0^{3,8}.0^{12,33}.0^{15,32}.0^{18,23}.0^{24,29}.0^{36,41}.0^{42,51}.0^{45,50}.0^{49,54}]hexapentaconta-1(55),3,5,7,18(23),19,21,24(29),25,27,36(41),37,39,42(51),43,45(50),48(56),49(54)-octadecaene-9,17,30,35,47,52-hexone
InChI key:XLTUFSWXCLUYIA-OMAMPWTPSA-N

分子式:C48H28O30
分子量:1084.722
氢键供体数 (HBD):16
氢键受体数 (HBA):23
LogP:4.5
SMILES:OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3Oc3cc4c5c(oc(=O)c6c(c(O)c(O)c(oc4=O)c56)-c4c(O)c(O)c(O)cc4C(=O)O[C@H]2[C@@H]2OC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@@H]12)c3O |w:1.0|
SMILES:OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3Oc3cc4c5c(oc(=O)c6c(c(O)c(O)c(oc4=O)c56)-c4c(O)c(O)c(O)cc4C(=O)O[C@H]2[C@@H]2OC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@@H]12)c3O |w:1.0|

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