Catalog Number:
AG005KCA
Chemical Name:
Benzyl 2-Acetamido-6-O-benzyl-4-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-2-deoxy-α-D-glucopyranoside
CAS Number:
71208-01-0
Molecular Formula:
C36H45NO15
Molecular Weight:
731.7402
IUPAC Name:
[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C36H45NO15/c1-20(38)37-29-30(43)31(27(18-44-16-25-12-8-6-9-13-25)50-35(29)46-17-26-14-10-7-11-15-26)52-36-34(49-24(5)42)33(48-23(4)41)32(47-22(3)40)28(51-36)19-45-21(2)39/h6-15,27-36,43H,16-19H2,1-5H3,(H,37,38)/t27-,28-,29-,30-,31-,32+,33+,34-,35+,36+/m1/s1
InChI Key:
VGBWYAPUIAFWOX-UMDPMRKTSA-N
SMILES:
CC(=O)OCC1O[C@@H](O[C@@H]2C(COCc3ccccc3)O[C@@H]([C@H]([C@H]2O)NC(=O)C)OCc2ccccc2)[C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C