(2S,4S,5R,6R)-5-acetamido-2-[6-[4-(7-methoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)phenoxy]-2-(4-methoxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-2-[6-[4-(7-methoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)phenoxy]-2-(4-methoxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-[5-hydroxy-6-[4-(5-hydroxy-7-methoxy-4-oxo-chromen-2-yl)phenoxy]-2-(4-methoxyphenyl)-4-oxo-chromen-7-yl]oxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-[[5-hydroxy-6-[4-(5-hydroxy-7-methoxy-4-oxo-1-benzopyran-2-yl)phenoxy]-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-[5-hydroxy-6-[4-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-[5-hydroxy-6-[4-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)phenoxy]-4-keto-2-(4-methoxyphenyl)chromen-7-yl]oxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C43H39NO18 MolecularWeight: 857.76566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)OC5=CC=C(C=C5)C6=CC(=O)C7=C(C=C(C=C7O6)OC)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1C(C(CO)O)O)(C(=O)O)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)OC5=CC=C(C=C5)C6=CC(=O)C7=C(C=C(C=C7O6)OC)O)O

InChI

InChI=1S/C43H39NO18/c1-19(46)44-37-28(50)17-43(42(54)55,62-41(37)38(52)29(51)18-45)61-34-16-33-36(27(49)15-31(60-33)20-4-8-22(56-2)9-5-20)39(53)40(34)58-23-10-6-21(7-11-23)30-14-26(48)35-25(47)12-24(57-3)13-32(35)59-30/h4-16,28-29,37-38,41,45,47,50-53H,17-18H2,1-3H3,(H,44,46)(H,54,55)/t28-,29?,37+,38?,41+,43+/m0/s1