5-acetamido-2-{[5-acetamido-3-hydroxy-6-(4-nitrophenoxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

CAS: 1316822-90-8

Formula: C31H45N3O21

SMILES: CC(=O)NC1C(O)CC(OCC2OC(OC3=CC=C(C=C3)[N+]([O-])=O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(OC1C(O)C(O)CO)C(O)=O

IUPAC: 5-acetamido-2-{[5-acetamido-3-hydroxy-6-(4-nitrophenoxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

InChI: InChI=1/C31H45N3O21/c1-11(37)32-19-15(39)7-31(30(46)47,55-27(19)21(41)16(40)8-35)50-10-18-23(43)26(54-29-25(45)24(44)22(42)17(9-36)52-29)20(33-12(2)38)28(53-18)51-14-5-3-13(4-6-14)34(48)49/h3-6,15-29,35-36,39-45H,7-10H2,1-2H3,(H,32,37)(H,33,38)(H,46,47)

Composition: C (46.79%), H (5.70%), N (5.28%), O (42.22%)

Molar Mass: 795.701

Atom Count: 100

Heavy Atom Count: 55