Compound N014-0003
HIT102491940
sdf文件结构编辑类似物检索
HIT ID: HIT102491940
Cas No: -
分子式: C36H50O15
分子量: 722.781
常用名: Compound N014-0003
氢键受体数 (HBA): 17
氢键供体数 (HBD): 7
LogP: 1.6325
IUPAC: (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate
IUPAC: (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate
SMILES: [#6]-[#6]-1-[#6]-[#6]\[#6](=[#6](/[#6])-[#6])C([#6])([#6]-[#6]-[#6](=O)-[#8]-[#6]-[#6]-2-[#8]-[#6](-[#8]C3([#6]-[#8])[#8]-[#6](-[#6]-[#8])-[#6](-[#8])-[#6]3-[#8])-[#6](-[#8])-[#6](-[#8])-[#6]-2-[#8])[#6]-1-[#6]-[#8]-c1ccc2ccc(=O)oc2c1
SMILES: [#6]-[#6]-1-[#6]-[#6]\[#6](=[#6](/[#6])-[#6])C([#6])([#6]-[#6]-[#6](=O)-[#8]-[#6]-[#6]-2-[#8]-[#6](-[#8]C3([#6]-[#8])[#8]-[#6](-[#6]-[#8])-[#6](-[#8])-[#6]3-[#8])-[#6](-[#8])-[#6](-[#8])-[#6]-2-[#8])[#6]-1-[#6]-[#8]-c1ccc2ccc(=O)oc2c1
InChI key: JTGXEXCMXHUMBA-UHFFFAOYSA-N
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