Catalog Number:
AG000DO4
Chemical Name:
α-D-Glucopyranose, O-2,3-di-O-acetyl-4,6-dideoxy-4-[[4,5,6-tris(acetyloxy)-3-[(acetyloxy)methyl]-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl-(1→4)-O-2,3,6-tri-O-acetyl-α-D-glucopyranosyl-(1→4)-, 1,2,3,6-tetraacetate, [1S-(1α,4α,5β,6α)]- (9CI)
CAS Number:
117065-98-2
Molecular Formula:
C51H69NO31
Molecular Weight:
1192.0817
MDL Number:
MFCD23160256
IUPAC Name:
[4,5-diacetyloxy-3-[3,4-diacetyloxy-6-methyl-5-[[4,5,6-triacetyloxy-3-(acetyloxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-6-[4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C51H69NO31/c1-19-37(52-34-15-33(16-66-20(2)53)38(70-23(5)56)43(73-26(8)59)39(34)71-24(6)57)42(72-25(7)58)46(76-29(11)62)49(69-19)82-40-36(18-68-22(4)55)81-51(48(78-31(13)64)45(40)75-28(10)61)83-41-35(17-67-21(3)54)80-50(79-32(14)65)47(77-30(12)63)44(41)74-27(9)60/h15,19,34-52H,16-18H2,1-14H3
InChI Key:
DEPYMLFJKYFQBH-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1OC(OC2C(COC(=O)C)OC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)C(C(C1OC1OC(C)C(C(C1OC(=O)C)OC(=O)C)NC1C=C(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
