(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-14,16,30-trimethyl-29-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-15,17,33,35,37,41,43,45,47,51,53-undecakis(oxidanyl)-31-oxidanylidene-N-(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)-56-[(phenylmethylidene)amino]hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide

Systemtic Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-14,16,30-trimethyl-29-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-15,17,33,35,37,41,43,45,47,51,53-undecakis(oxidanyl)-31-oxidanylidene-N-(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)-56-[(phenylmethylidene)amino]hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide Openeye Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-(benzylideneamino)-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-cyclopenten-1-yl)-14,16,30-trimethyl-31-oxo-29-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide CAS Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-1-cyclopentenyl)-14,16,30-trimethyl-31-oxo-56-[(phenylmethylene)amino]-29-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide IUPAC Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-(benzylideneamino)-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16,30-trimethyl-31-oxo-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide Traditional Name: (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-(benzalamino)-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-keto-cyclopenten-1-yl)-31-keto-14,16,30-trimethyl-29-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-hexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide Formula: C77H112N2O20 MolecularWeight: 1385.71458

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC(CC=CC=CC=CC=CC=CC(C(C)C(C(C)C=CCCC=CC=CC=CC=CC(=O)NC2=C(CCC2=O)O)O)O)C(C)C(=O)CC(CC(CC(C=CCC(CC(CC(CC(C=CCC(CC(CCCN=CC3=CC=CC=C3)O)O)O)O)O)O)O)O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OC(C/C=C/C=C/C=C/C=C/C=C/C(C(C)C(C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC2=C(CCC2=O)O)O)O)C(C)C(=O)CC(CC(CC(/C=C/CC(CC(CC(CC(/C=C/CC(CC(CCCN=CC3=CC=CC=C3)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C77H112N2O20/c1-52(30-21-16-12-8-5-6-11-15-19-26-40-71(93)79-72-67(90)41-42-68(72)91)73(94)54(3)66(89)38-24-17-13-9-7-10-14-18-25-39-70(99-77-76(97)75(96)74(95)55(4)98-77)53(2)69(92)50-65(88)49-64(87)47-60(83)36-28-35-59(82)46-63(86)48-62(85)45-58(81)34-27-33-57(80)44-61(84)37-29-43-78-51-56-31-22-20-23-32-56/h5-11,13-15,17-28,30-32,34,36,38,40,51-55,57-66,70,73-77,80-90,94-97H,12,16,29,33,35,37,39,41-50H2,1-4H3,(H,79,93)/b8-5+,9-7+,11-6+,14-10+,17-13+,19-15+,25-18+,30-21+,34-27+,36-28+,38-24+,40-26+,78-51?