3-[5-[6-carboxy-4-hexanoyloxy-5-[4-hexanoyloxy-5-oxidanyl-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-3-sulfooxy-oxan-2-yl]oxy-4-hexanoyloxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-hexanoyloxy-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: 3-[5-[6-carboxy-4-hexanoyloxy-5-[4-hexanoyloxy-5-oxidanyl-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-3-sulfooxy-oxan-2-yl]oxy-4-hexanoyloxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-hexanoyloxy-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: 3-[5-[6-carboxy-4-hexanoyloxy-5-[4-hexanoyloxy-5-hydroxy-3-(sulfoamino)-6-(sulfomethyl)tetrahydropyran-2-yl]oxy-3-sulfooxy-tetrahydropyran-2-yl]oxy-4-hexanoyloxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-(hexanoyloxymethyl)-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-oxohexoxy)-3-(sulfoamino)-6-(sulfomethyl)-2-oxanyl]oxy]-4-(1-oxohexoxy)-3-sulfooxy-2-oxanyl]oxy]-4-(1-oxohexoxy)-3-(sulfoamino)-6-(sulfooxymethyl)-2-oxanyl]oxy]-6-[[6-[(E)-4-hydroxy-4-oxo-1-(1-oxohexoxy)but-2-en-2-yl]oxy-4-(1-oxohexoxy)-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-4-(1-oxohexoxy)-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 3-[5-[6-carboxy-4-hexanoyloxy-5-[4-hexanoyloxy-5-hydroxy-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-3-sulfooxyoxan-2-yl]oxy-4-hexanoyloxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hexanoyloxy-6-[4-hexanoyloxy-6-[(E)-1-hexanoyloxy-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-caproyloxy-3-[4-caproyloxy-5-[4-caproyloxy-5-[4-caproyloxy-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-caproyloxy-6-[(E)-1-(caproyloxymethyl)-3-hydroxy-3-keto-prop-1-enoxy]-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C70H115N3O57S8 MolecularWeight: 2167.168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=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)CCCCC)NS(=O)(=O)O)OC(=O)CCCCC)OS(=O)(=O)O)OC(=O)CCCCC)NS(=O)(=O)O)OC(=O)CCCCC)OS(=O)(=O)O)OC(=O)CCCCC)NS(=O)(=O)O

Isomeric SMILES

CCCCCC(=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)CCCCC)NS(=O)(=O)O)OC(=O)CCCCC)OS(=O)(=O)O)OC(=O)CCCCC)NS(=O)(=O)O)OC(=O)CCCCC)OS(=O)(=O)O)OC(=O)CCCCC)NS(=O)(=O)O

InChI

InChI=1S/C70H115N3O57S8/c1-7-13-19-25-41(76)111-32-36(31-40(74)75)114-66-48(72-133(93,94)95)54(119-43(78)27-21-15-9-3)51(37(115-66)33-112-135(99,100)101)123-69-63(130-138(108,109)110)59(122-46(81)30-24-18-12-6)57(61(128-69)65(85)86)126-68-49(73-134(96,97)98)55(120-44(79)28-22-16-10-4)52(38(116-68)34-113-136(102,103)104)124-70-62(129-137(105,106)107)58(121-45(80)29-23-17-11-5)56(60(127-70)64(83)84)125-67-47(71-132(90,91)92)53(118-42(77)26-20-14-8-2)50(82)39(117-67)35-131(87,88)89/h31,37-39,47-63,66-73,82H,7-30,32-35H2,1-6H3,(H,74,75)(H,83,84)(H,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)/b36-31+