Name: Compound N014-0003
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT102491940
Cas No:-
常用名:Compound N014-0003
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
InChI key:JTGXEXCMXHUMBA-UHFFFAOYSA-N

分子式:C36H50O15
分子量:722.781
氢键供体数 (HBD):7
氢键受体数 (HBA):17
LogP:1.6325
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

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