(2R,4S,5R,6R)-6-[(1R,2R)-1,2-bis(oxidanyl)-3-[(4-phenylphenyl)methylamino]propyl]-2-[[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-5-(2-oxidanylethanoylamino)oxane-2-carboxylic acid

Systemtic Name: (2R,4S,5R,6R)-6-[(1R,2R)-1,2-bis(oxidanyl)-3-[(4-phenylphenyl)methylamino]propyl]-2-[[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-5-(2-oxidanylethanoylamino)oxane-2-carboxylic acid Openeye Name: (2R,4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-[(4-phenylphenyl)methylamino]propyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2R,4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-[(4-phenylphenyl)methylamino]propyl]-4-hydroxy-5-[(2-hydroxy-1-oxoethyl)amino]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)-2-oxanyl]methoxy]-2-oxanecarboxylic acid IUPAC Name: (2R,4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-[(4-phenylphenyl)methylamino]propyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)oxan-2-yl]methoxy]oxane-2-carboxylic acid Traditional Name: (2R,4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-[(4-phenylbenzyl)amino]propyl]-5-(glycoloylamino)-4-hydroxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-carboxylic acid Formula: C37H46N2O15 MolecularWeight: 758.76554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3(CC(C(C(O3)C(C(CNCC4=CC=C(C=C4)C5=CC=CC=C5)O)O)NC(=O)CO)O)C(=O)O)O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CNCC4=CC=C(C=C4)C5=CC=CC=C5)O)O)NC(=O)CO)O)C(=O)O)O)O)O

InChI

InChI=1S/C37H46N2O15/c1-50-23-11-13-24(14-12-23)52-35-33(47)32(46)31(45)27(53-35)19-51-37(36(48)49)15-25(41)29(39-28(43)18-40)34(54-37)30(44)26(42)17-38-16-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,25-27,29-35,38,40-42,44-47H,15-19H2,1H3,(H,39,43)(H,48,49)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1