(2S,3S,4S,5R,6S)-6-[7-[[(E)-3-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-dimethoxy-phenyl]prop-2-enoyl]amino]-1-methyl-3-octoxy-2-oxidanylidene-quinolin-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[7-[[(E)-3-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-dimethoxy-phenyl]prop-2-enoyl]amino]-1-methyl-3-octoxy-2-oxidanylidene-quinolin-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[[7-[[(E)-3-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3,5-dimethoxy-phenyl]prop-2-enoyl]amino]-1-methyl-3-octoxy-2-oxo-4-quinolyl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[7-[[(E)-3-[4-[[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-2-oxanyl]oxy]-3,5-dimethoxyphenyl]-1-oxoprop-2-enyl]amino]-1-methyl-3-octoxy-2-oxo-4-quinolinyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[7-[[(E)-3-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoyl]amino]-1-methyl-3-octoxy-2-oxoquinolin-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[[7-[[(E)-3-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3,5-dimethoxy-phenyl]acryloyl]amino]-2-keto-1-methyl-3-octoxy-4-quinolyl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C41H52N2O19 MolecularWeight: 876.85358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C(C=C2)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC4C(C(C(C(O4)C(=O)O)O)O)O)OC)N(C1=O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC)N(C1=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

InChI

InChI=1S/C41H52N2O19/c1-5-6-7-8-9-10-15-58-36-32(59-40-30(49)26(45)28(47)34(61-40)38(52)53)21-13-12-20(18-22(21)43(2)37(36)51)42-25(44)14-11-19-16-23(56-3)33(24(17-19)57-4)60-41-31(50)27(46)29(48)35(62-41)39(54)55/h11-14,16-18,26-31,34-35,40-41,45-50H,5-10,15H2,1-4H3,(H,42,44)(H,52,53)(H,54,55)/b14-11+/t26-,27-,28-,29-,30+,31+,34-,35-,40+,41+/m0/s1