(23E,25E,27E,29E,31E,33E,35E)-38-[7-(4-aminophenyl)-4-methyl-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-22-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-37-methyl-10,14,18,20-tetrakis(oxidanyl)-2,4,8,16-tetrakis(oxidanylidene)-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid

Systemtic Name: (23E,25E,27E,29E,31E,33E,35E)-38-[7-(4-aminophenyl)-4-methyl-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-22-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-37-methyl-10,14,18,20-tetrakis(oxidanyl)-2,4,8,16-tetrakis(oxidanylidene)-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid Openeye Name: (23E,25E,27E,29E,31E,33E,35E)-22-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-38-[6-(4-aminophenyl)-4-hydroxy-1,3-dimethyl-6-oxo-hexyl]-10,14,18,20-tetrahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid CAS Name: (23E,25E,27E,29E,31E,33E,35E)-22-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,14,18,20-tetrahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid IUPAC Name: (23E,25E,27E,29E,31E,33E,35E)-22-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,14,18,20-tetrahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid Traditional Name: (23E,25E,27E,29E,31E,33E,35E)-22-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-38-[6-(4-aminophenyl)-4-hydroxy-6-keto-1,3-dimethyl-hexyl]-10,14,18,20-tetrahydroxy-2,4,8,16-tetraketo-37-methyl-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid Formula: C59H84N2O17 MolecularWeight: 1093.30146

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC=CC=CC=CC=CC=CC(CC(C(C(CC(=O)CC(CCCC(CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=C(C=C2)N)O)O)O)O)C(=O)O)O)OC3C(C(C(C(O3)C)O)N)O

Isomeric SMILES

CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC(C(C(CC(=O)CC(CCCC(CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=C(C=C2)N)O)O)O)O)C(=O)O)O)OC3C(C(C(C(O3)C)O)N)O

InChI

InChI=1S/C59H84N2O17/c1-36-19-15-13-11-9-7-5-6-8-10-12-14-16-24-47(77-59-56(73)54(61)55(72)39(4)76-59)34-51(70)53(58(74)75)50(69)32-46(66)31-44(64)22-17-20-42(62)30-43(63)21-18-23-45(65)33-52(71)78-57(36)38(3)29-37(2)48(67)35-49(68)40-25-27-41(60)28-26-40/h5-16,19,24-28,36-39,42,44,47-48,50-51,53-57,59,62,64,67,69-70,72-73H,17-18,20-23,29-35,60-61H2,1-4H3,(H,74,75)/b6-5+,9-7+,10-8+,13-11+,14-12+,19-15+,24-16+