(3R,4S,5S,6S)-6-{[2-(4-{[(2R,3S,4R,5R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS: 182507-20-6

Formula: C40H43NO16S

SMILES: O[C@H]1[C@H](O)[C@@H](OC2=CC=C(C=C2)C2=C(C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C3=CC=C(O[C@@H]4OC([C@H](O)[C@H](O)[C@@H]4O)C(O)=O)C=C3S2)OC([C@@H]1O)C(O)=O

IUPAC: (3R,4S,5S,6S)-6-{[2-(4-{[(2R,3S,4R,5R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

InChI: InChI=1S/C40H43NO16S/c42-27(19-4-8-21(9-5-19)53-17-16-41-14-2-1-3-15-41)26-24-13-12-23(55-40-33(48)29(44)31(46)35(57-40)38(51)52)18-25(24)58-36(26)20-6-10-22(11-7-20)54-39-32(47)28(43)30(45)34(56-39)37(49)50/h4-13,18,28-35,39-40,43-48H,1-3,14-17H2,(H,49,5

Composition: C (58.18%), H (5.25%), N (1.70%), O (31.00%), S (3.88%)

Molar Mass: 825.84

Atom Count: 101

Heavy Atom Count: 58