Catalog Number:
AG000Z45
Chemical Name:
β-D-Glucopyranoside, 4-nitrophenyl O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-
CAS Number:
129411-63-8
Molecular Formula:
C36H55NO28
Molecular Weight:
949.8118
MDL Number:
MFCD00133735
IUPAC Name:
2-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C36H55NO28/c38-5-12-17(43)18(44)23(49)33(57-12)62-29-14(7-40)59-35(25(51)20(29)46)64-31-16(9-42)61-36(27(53)22(31)48)65-30-15(8-41)60-34(26(52)21(30)47)63-28-13(6-39)58-32(24(50)19(28)45)56-11-3-1-10(2-4-11)37(54)55/h1-4,12-36,38-53H,5-9H2
InChI Key:
YXGBAQKCCMQLGH-UHFFFAOYSA-N
SMILES:
OCC1OC(OC2C(CO)OC(C(C2O)O)Oc2ccc(cc2)[N+](=O)[O-])C(C(C1OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O)O
