3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,28,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid

Systemtic Name: 3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,28,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid Openeye Name: 3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19,25,27,28,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid CAS Name: 3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-19,25,27,28,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid IUPAC Name: 3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19,25,27,28,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid Traditional Name: 3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19,25,27,28,31,33,35,37-octahydroxy-23-keto-18,20,21-trimethyl-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid Formula: C47H73NO17 MolecularWeight: 924.07902

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CCC(C(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O

Isomeric SMILES

CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CCC(C(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O

InChI

InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)21-31(49)19-20-35(52)36(53)22-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)