220645-80-7
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 4,6-O-[(4-METHOXYPHENYL)METHYLENE]-1-THIO-, DIBENZOATE
Name
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 4,6-O-[(4-METHOXYPHENYL)METHYLENE]-1-THIO-, DIBENZOATE
pro_formula
C35H32O8S
pro_molWeight
612.696
1Identification
【Name】
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 4,6-O-[(4-METHOXYPHENYL)METHYLENE]-1-THIO-, DIBENZOATE
【CAS】
【MDL】
MFCD13182705
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C35H32O8S
【pro_molWeight】
612.696
【Inchi】
InChI=1S/C35H32O8S/c1-22-13-19-27(20-14-22)44-35-31(42-33(37)24-11-7-4-8-12-24)30(41-32(36)23-9-5-3-6-10-23)29-28(40-35)21-39-34(43-29)25-15-17-26(38-2)18-16-25/h3-20,28-31,34-35H,21H2,1-2H3/t28-,29-,30+,31-,34?,35+/m1/s1
【InChIKey】
InChIKey=NYBZYZLZPWWIKD-NEPHSQLYSA-N
【SMILES】
COC1=CC=C(C=C1)C1OC[C@H]2O[C@@H](SC3=CC=C(C)C=C3)[C@H](OC(=O)C3=CC=CC=C3)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]2O1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:5.5937
Bulk/Fine:F