sodium (4E,6E,8E,10E,12E,14E,16Z)-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,32,33,35,37-heptakis(oxidanyl)-23,29-bis(oxidanylidene)-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate

Systemtic Name: sodium (4E,6E,8E,10E,12E,14E,16Z)-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,32,33,35,37-heptakis(oxidanyl)-23,29-bis(oxidanylidene)-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate Openeye Name: sodium (4E,6E,8E,10E,12E,14E,16Z)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19,25,27,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,29-dioxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate CAS Name: sodium (4E,6E,8E,10E,12E,14E,16Z)-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-19,25,27,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,29-dioxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate IUPAC Name: sodium (4E,6E,8E,10E,12E,14E,16Z)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19,25,27,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,29-dioxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate Traditional Name: sodium (4E,6E,8E,10E,12E,14E,16Z)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19,25,27,32,33,35,37-heptahydroxy-23,29-diketo-18,20,21-trimethyl-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate Formula: C47H70NNaO17 MolecularWeight: 944.04497

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)C(=O)[O-])OC3C(C(C(C(O3)C)O)N)O.[Na+]

Isomeric SMILES

CC1/C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)C(=O)[O-])OC3C(C(C(C(O3)C)O)N)O.[Na+]

InChI

InChI=1S/C47H71NO17.Na/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)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56;/h5-18,27-30,32-38,40-44,46,50-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60);/q;+1/p-1/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15-,18-16+;