951767-74-1
4-METHYLPHENYL 2-O-[(4-METHOXYPHENYL)METHYL]-3-O-(PHENYLMETHYL)-4,6-O-[(S)-PHENYLMETHYLENE]-1-THIO-B-D-GALACTOPYRANOSIDE
Name
4-METHYLPHENYL 2-O-[(4-METHOXYPHENYL)METHYL]-3-O-(PHENYLMETHYL)-4,6-O-[(S)-PHENYLMETHYLENE]-1-THIO-B-D-GALACTOPYRANOSIDE
pro_formula
C35H36O6S
pro_molWeight
584.729
1Identification
【Name】
4-METHYLPHENYL 2-O-[(4-METHOXYPHENYL)METHYL]-3-O-(PHENYLMETHYL)-4,6-O-[(S)-PHENYLMETHYLENE]-1-THIO-B-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD13182644
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C35H36O6S
【pro_molWeight】
584.729
【Inchi】
InChI=1S/C35H36O6S/c1-24-13-19-29(20-14-24)42-35-33(38-22-26-15-17-28(36-2)18-16-26)32(37-21-25-9-5-3-6-10-25)31-30(40-35)23-39-34(41-31)27-11-7-4-8-12-27/h3-20,30-35H,21-23H2,1-2H3/t30-,31+,32+,33-,34+,35+/m1/s1
【InChIKey】
InChIKey=UKPDDCLQDUFSCN-VYXDPQKESA-N
【SMILES】
COC1=CC=C(CO[C@H]2[C@@H](O[C@@H]3CO[C@@H](O[C@@H]3[C@@H]2OCC2=CC=CC=C2)C2=CC=CC=C2)SC2=CC=C(C)C=C2)C=C1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:5.4869
Bulk/Fine:F