582322-06-3
4-METHYLPHENYL 6-O-[(4-METHOXYPHENYL)METHYL]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-B-D-GLUCOPYRANOSIDE
Name
4-METHYLPHENYL 6-O-[(4-METHOXYPHENYL)METHYL]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-B-D-GLUCOPYRANOSIDE
pro_formula
C35H38O6S
pro_molWeight
586.745
1Identification
【Name】
4-METHYLPHENYL 6-O-[(4-METHOXYPHENYL)METHYL]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-B-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD13182809
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C35H38O6S
【pro_molWeight】
586.745
【Inchi】
InChI=1S/C35H38O6S/c1-25-13-19-30(20-14-25)42-35-34(40-23-27-11-7-4-8-12-27)33(39-22-26-9-5-3-6-10-26)32(36)31(41-35)24-38-21-28-15-17-29(37-2)18-16-28/h3-20,31-36H,21-24H2,1-2H3/t31-,32-,33+,34-,35+/m1/s1
【InChIKey】
InChIKey=KFMQKZVPUXEQHY-KJQSSVQNSA-N
【SMILES】
COC1=CC=C(COC[C@H]2O[C@@H](SC3=CC=C(C)C=C3)[C@H](OCC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@@H]2O)C=C1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:7.0031
Bulk/Fine:F