(2S,4S,5R,6R)-5-acetamido-2-[4-[7-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-8-methoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl]phenoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid; sodium

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-2-[4-[7-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-8-methoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl]phenoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid; sodium Openeye Name: (2S,4S,5R,6R)-5-acetamido-2-[4-[7-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxy-5-hydroxy-8-methoxy-4-oxo-chromen-2-yl]phenoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid; sodium CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[4-[7-[[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanyl]oxy]-5-hydroxy-8-methoxy-4-oxo-1-benzopyran-2-yl]phenoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid; sodium IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-[4-[7-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-hydroxy-8-methoxy-4-oxochromen-2-yl]phenoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid; sodium Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[4-[7-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxy-5-hydroxy-4-keto-8-methoxy-chromen-2-yl]phenoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid; sodium Formula: C38H46N2Na2O22 MolecularWeight: 928.75158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)OC)O.[Na].[Na]

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)OC)O.[Na].[Na]

InChI

InChI=1S/C38H46N2O22.2Na/c1-14(43)39-27-20(47)10-37(35(53)54,61-33(27)29(51)22(49)12-41)59-17-6-4-16(5-7-17)24-8-18(45)26-19(46)9-25(31(57-3)32(26)58-24)60-38(36(55)56)11-21(48)28(40-15(2)44)34(62-38)30(52)23(50)13-42;;/h4-9,20-23,27-30,33-34,41-42,46-52H,10-13H2,1-3H3,(H,39,43)(H,40,44)(H,53,54)(H,55,56);;/t20-,21-,22+,23+,27+,28+,29+,30+,33+,34+,37+,38+;;/m0../s1