[4-[[6-[(5-azanyl-2-oxidanyl-phenyl)carbonyloxymethoxycarbonyl]-5-[[4-[[6-[(5-azanyl-2-oxidanyl-phenyl)carbonyloxymethoxycarbonyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-6-(hydroxymethyl)-3-(methylazaniumyl)-5-oxidanyl-oxan-2-yl]methoxymethyl]-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-6-(hydroxymethyl)-2,5-bis(oxidanyl)oxan-3-yl]-methyl-azanium

Systemtic Name: [4-[[6-[(5-azanyl-2-oxidanyl-phenyl)carbonyloxymethoxycarbonyl]-5-[[4-[[6-[(5-azanyl-2-oxidanyl-phenyl)carbonyloxymethoxycarbonyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-6-(hydroxymethyl)-3-(methylazaniumyl)-5-oxidanyl-oxan-2-yl]methoxymethyl]-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-6-(hydroxymethyl)-2,5-bis(oxidanyl)oxan-3-yl]-methyl-azanium Openeye Name: [4-[[6-[(5-amino-2-hydroxy-benzoyl)oxymethoxycarbonyl]-5-[[4-[[6-[(5-amino-2-hydroxy-benzoyl)oxymethoxycarbonyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-6-(hydroxymethyl)-3-(methylammonio)tetrahydropyran-2-yl]methoxymethyl]-3,4-dihydroxy-tetrahydropyran-2-yl]oxymethyl]-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-methyl-ammonium CAS Name: [4-[[6-[[(5-amino-2-hydroxyphenyl)-oxomethoxy]methoxy-oxomethyl]-5-[[4-[[6-[[(5-amino-2-hydroxyphenyl)-oxomethoxy]methoxy-oxomethyl]-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-5-hydroxy-6-(hydroxymethyl)-3-(methylammonio)-2-oxanyl]methoxymethyl]-3,4-dihydroxy-2-oxanyl]oxymethyl]-2,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]-methylammonium IUPAC Name: [4-[[6-[(5-amino-2-hydroxybenzoyl)oxymethoxycarbonyl]-5-[[4-[[6-[(5-amino-2-hydroxybenzoyl)oxymethoxycarbonyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-hydroxy-6-(hydroxymethyl)-3-(methylazaniumyl)oxan-2-yl]methoxymethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-methylazanium Traditional Name: [4-[[6-[(5-amino-2-hydroxy-benzoyl)oxymethoxycarbonyl]-5-[[4-[[6-[(5-amino-2-hydroxy-benzoyl)oxymethoxycarbonyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-3-(methylammonio)-6-methylol-tetrahydropyran-2-yl]methoxymethyl]-3,4-dihydroxy-tetrahydropyran-2-yl]oxymethyl]-2,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]-methyl-ammonium Formula: C46H68N4O27+2 MolecularWeight: 1109.04272

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1C(C(C(OC1COCC2C(C(C(OC2C(=O)OCOC(=O)C3=C(C=CC(=C3)N)O)OCC4C(C(OC(C4O)CO)O)[NH2+]C)O)O)CO)O)COC5C(C(C(C(O5)C(=O)OCOC(=O)C6=C(C=CC(=C6)N)O)O)O)O

Isomeric SMILES

C[NH2+]C1C(C(C(OC1COCC2C(C(C(OC2C(=O)OCOC(=O)C3=C(C=CC(=C3)N)O)OCC4C(C(OC(C4O)CO)O)[NH2+]C)O)O)CO)O)COC5C(C(C(C(O5)C(=O)OCOC(=O)C6=C(C=CC(=C6)N)O)O)O)O

InChI

InChI=1S/C46H66N4O27/c1-49-29-21(12-68-46-37(61)34(58)35(59)39(77-46)44(66)73-16-71-41(63)20-8-18(48)4-6-25(20)54)31(55)26(9-51)74-28(29)14-67-11-23-33(57)36(60)45(69-13-22-30(50-2)42(64)75-27(10-52)32(22)56)76-38(23)43(65)72-15-70-40(62)19-7-17(47)3-5-24(19)53/h3-8,21-23,26-39,42,45-46,49-61,64H,9-16,47-48H2,1-2H3/p+2