4-butanoyloxy-3-[4-butanoyloxy-5-[4-butanoyloxy-5-[4-butanoyloxy-5-oxidanyl-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-6-carboxy-3-sulfooxy-oxan-2-yl]oxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[4-butanoyloxy-6-[(E)-1-butanoyloxy-4-oxidanyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxy-oxane-2-carboxylic acid

Systemtic Name: 4-butanoyloxy-3-[4-butanoyloxy-5-[4-butanoyloxy-5-[4-butanoyloxy-5-oxidanyl-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-6-carboxy-3-sulfooxy-oxan-2-yl]oxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[4-butanoyloxy-6-[(E)-1-butanoyloxy-4-oxidanyl-4-oxidanylidene-but-2-en-2-yl]oxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: 4-butanoyloxy-3-[4-butanoyloxy-5-[4-butanoyloxy-5-[4-butanoyloxy-5-hydroxy-3-(sulfoamino)-6-(sulfomethyl)tetrahydropyran-2-yl]oxy-6-carboxy-3-sulfooxy-tetrahydropyran-2-yl]oxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-6-[4-butanoyloxy-6-[(E)-1-(butanoyloxymethyl)-3-hydroxy-3-oxo-prop-1-enoxy]-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 3-[[5-[[6-carboxy-5-[[5-hydroxy-4-(1-oxobutoxy)-3-(sulfoamino)-6-(sulfomethyl)-2-oxanyl]oxy]-4-(1-oxobutoxy)-3-sulfooxy-2-oxanyl]oxy]-4-(1-oxobutoxy)-3-(sulfoamino)-6-(sulfooxymethyl)-2-oxanyl]oxy]-6-[[6-[(E)-4-hydroxy-4-oxo-1-(1-oxobutoxy)but-2-en-2-yl]oxy-4-(1-oxobutoxy)-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-4-(1-oxobutoxy)-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 4-butanoyloxy-3-[4-butanoyloxy-5-[4-butanoyloxy-5-[4-butanoyloxy-5-hydroxy-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-6-carboxy-3-sulfooxyoxan-2-yl]oxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[4-butanoyloxy-6-[(E)-1-butanoyloxy-4-hydroxy-4-oxobut-2-en-2-yl]oxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 4-butyryloxy-3-[4-butyryloxy-5-[4-butyryloxy-5-[4-butyryloxy-5-hydroxy-3-(sulfoamino)-6-(sulfomethyl)tetrahydropyran-2-yl]oxy-6-carboxy-3-sulfoxy-tetrahydropyran-2-yl]oxy-3-(sulfoamino)-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-6-[4-butyryloxy-6-[(E)-1-(butyryloxymethyl)-3-hydroxy-3-keto-prop-1-enoxy]-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C58H91N3O57S8 MolecularWeight: 1998.84904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=CC(=O)O)OC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)CS(=O)(=O)O)O)OC(=O)CCC)NS(=O)(=O)O)OC(=O)CCC)OS(=O)(=O)O)OC(=O)CCC)NS(=O)(=O)O)OC(=O)CCC)OS(=O)(=O)O)OC(=O)CCC)NS(=O)(=O)O

Isomeric SMILES

CCCC(=O)OC/C(=C\C(=O)O)/OC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)CS(=O)(=O)O)O)OC(=O)CCC)NS(=O)(=O)O)OC(=O)CCC)OS(=O)(=O)O)OC(=O)CCC)NS(=O)(=O)O)OC(=O)CCC)OS(=O)(=O)O)OC(=O)CCC)NS(=O)(=O)O

InChI

InChI=1S/C58H91N3O57S8/c1-7-13-29(64)99-20-24(19-28(62)63)102-54-36(60-121(81,82)83)42(107-31(66)15-9-3)39(25(103-54)21-100-123(87,88)89)111-57-51(118-126(96,97)98)47(110-34(69)18-12-6)45(49(116-57)53(73)74)114-56-37(61-122(84,85)86)43(108-32(67)16-10-4)40(26(104-56)22-101-124(90,91)92)112-58-50(117-125(93,94)95)46(109-33(68)17-11-5)44(48(115-58)52(71)72)113-55-35(59-120(78,79)80)41(106-30(65)14-8-2)38(70)27(105-55)23-119(75,76)77/h19,25-27,35-51,54-61,70H,7-18,20-23H2,1-6H3,(H,62,63)(H,71,72)(H,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)/b24-19+