[2-(hydroxymethyl)-6-[4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,5-bis(oxidanyl)-6-(2-tetradecylhexadecoxy)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate

Systemtic Name: [2-(hydroxymethyl)-6-[4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,5-bis(oxidanyl)-6-(2-tetradecylhexadecoxy)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate Openeye Name: [2-[2,5-dihydroxy-6-(2-tetradecylhexadecoxy)-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [2-[[2,5-dihydroxy-6-(2-tetradecylhexadecoxy)-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl] ester IUPAC Name: [2-[2,5-dihydroxy-6-(2-tetradecylhexadecoxy)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-[2,5-dihydroxy-6-(2-myristylhexadecoxy)-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C47H90O18S MolecularWeight: 975.2717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)OS(=O)(=O)O)O)OC3C(C(C(C(O3)C)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)OS(=O)(=O)O)O)OC3C(C(C(C(O3)C)O)O)O)O

InChI

InChI=1S/C47H90O18S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(29-27-25-23-21-19-17-15-13-11-9-7-5-2)31-59-45-40(54)42(62-46-38(52)37(51)35(49)32(3)60-46)43(44(55)64-45)63-47-39(53)41(65-66(56,57)58)36(50)34(30-48)61-47/h32-55H,4-31H2,1-3H3,(H,56,57,58)