sodium 2-[4-[4-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-[1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-7-methyl-6-[6-methyl-4-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-8,9-bis(oxidanyl)-3,4-dihydro-2H-anthracen-1-one

Systemtic Name: sodium 2-[4-[4-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-[1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-7-methyl-6-[6-methyl-4-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-8,9-bis(oxidanyl)-3,4-dihydro-2H-anthracen-1-one Openeye Name: sodium 2-[4-[4-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxo-pentyl)-6-[4-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one CAS Name: sodium 2-[[4-[[4-[(4,5-dihydroxy-4,6-dimethyl-2-oxanyl)oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6-[[4-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one IUPAC Name: sodium 2-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one Traditional Name: sodium 2-[4-[4-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-(3,4-dihydroxy-2-keto-1-methoxy-pentyl)-6-[4-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one Formula: C52H76NaO24+ MolecularWeight: 1108.13521

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O.[Na+]

Isomeric SMILES

CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O.[Na+]

InChI

InChI=1S/C52H76O24.Na/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37;/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3;/q;+1