3-[5-[6-carboxy-4-octanoyloxy-5-[4-octanoyloxy-5-oxidanyl-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-3-sulfooxy-oxan-2-yl]oxy-4-octanoyloxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-octanoyloxy-6-[4-octanoyloxy-6-[(E)-1-octanoyloxy-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-octanoyloxy-5-[4-octanoyloxy-5-oxidanyl-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-3-sulfooxy-oxan-2-yl]oxy-4-octanoyloxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4-octanoyloxy-6-[4-octanoyloxy-6-[(E)-1-octanoyloxy-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-5-[5-hydroxy-4-octanoyloxy-3-(sulfoamino)-6-(sulfomethyl)tetrahydropyran-2-yl]oxy-4-octanoyloxy-3-sulfooxy-tetrahydropyran-2-yl]oxy-4-octanoyloxy-3-(sulfoamino)-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-6-[6-[(E)-3-hydroxy-1-(octanoyloxymethyl)-3-oxo-prop-1-enoxy]-4-octanoyloxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-4-octanoyloxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 3-[[5-[[6-carboxy-5-[[5-hydroxy-4-(1-oxooctoxy)-3-(sulfoamino)-6-(sulfomethyl)-2-oxanyl]oxy]-4-(1-oxooctoxy)-3-sulfooxy-2-oxanyl]oxy]-4-(1-oxooctoxy)-3-(sulfoamino)-6-(sulfooxymethyl)-2-oxanyl]oxy]-6-[[6-[(E)-4-hydroxy-4-oxo-1-(1-oxooctoxy)but-2-en-2-yl]oxy-4-(1-oxooctoxy)-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-4-(1-oxooctoxy)-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 3-[5-[6-carboxy-5-[5-hydroxy-4-octanoyloxy-3-(sulfoamino)-6-(sulfomethyl)oxan-2-yl]oxy-4-octanoyloxy-3-sulfooxyoxan-2-yl]oxy-4-octanoyloxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[6-[(E)-4-hydroxy-1-octanoyloxy-4-oxobut-2-en-2-yl]oxy-4-octanoyloxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-octanoyloxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 4-caprylyloxy-3-[4-caprylyloxy-5-[4-caprylyloxy-5-[4-caprylyloxy-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-caprylyloxy-6-[(E)-1-(caprylyloxymethyl)-3-hydroxy-3-keto-prop-1-enoxy]-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C82H139N3O57S8 MolecularWeight: 2335.48696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=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)CCCCCCC)NS(=O)(=O)O)OC(=O)CCCCCCC)OS(=O)(=O)O)OC(=O)CCCCCCC)NS(=O)(=O)O)OC(=O)CCCCCCC)OS(=O)(=O)O)OC(=O)CCCCCCC)NS(=O)(=O)O

Isomeric SMILES

CCCCCCCC(=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)CCCCCCC)NS(=O)(=O)O)OC(=O)CCCCCCC)OS(=O)(=O)O)OC(=O)CCCCCCC)NS(=O)(=O)O)OC(=O)CCCCCCC)OS(=O)(=O)O)OC(=O)CCCCCCC)NS(=O)(=O)O

InChI

InChI=1S/C82H139N3O57S8/c1-7-13-19-25-31-37-53(88)123-44-48(43-52(86)87)126-78-60(84-145(105,106)107)66(131-55(90)39-33-27-21-15-9-3)63(49(127-78)45-124-147(111,112)113)135-81-75(142-150(120,121)122)71(134-58(93)42-36-30-24-18-12-6)69(73(140-81)77(97)98)138-80-61(85-146(108,109)110)67(132-56(91)40-34-28-22-16-10-4)64(50(128-80)46-125-148(114,115)116)136-82-74(141-149(117,118)119)70(133-57(92)41-35-29-23-17-11-5)68(72(139-82)76(95)96)137-79-59(83-144(102,103)104)65(62(94)51(129-79)47-143(99,100)101)130-54(89)38-32-26-20-14-8-2/h43,49-51,59-75,78-85,94H,7-42,44-47H2,1-6H3,(H,86,87)(H,95,96)(H,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)/b48-43+