[(2S,3R,4S,5S,6R)-2-(hydroxymethyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-4-methoxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-5-oxidanyl-oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2S,3R,4S,5S,6R)-2-(hydroxymethyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-4-methoxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-5-oxidanyl-oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-4-sulfooxy-tetrahydropyran-3-yl]oxy-4-methoxy-tetrahydropyran-2-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-[[(2S,3R,4S,5S,6R)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-4-sulfooxy-3-oxanyl]oxy]-4-methoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-4-sulfooxyoxan-3-yl]oxy-4-methoxyoxan-2-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4S,5R,6S)-3,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-5-hydroxy-6-methoxy-2-methylol-4-sulfoxy-tetrahydropyran-3-yl]oxy-4-methoxy-tetrahydropyran-2-yl]methyl ester Formula: C14H26O17S2 MolecularWeight: 530.47604

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC(C1O)OC2C(OC(C(C2OS(=O)(=O)O)O)OC)CO)COS(=O)(=O)O)O

Isomeric SMILES

CO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@@H](O[C@H]([C@H]([C@@H]2OS(=O)(=O)O)O)OC)CO)COS(=O)(=O)O)O

InChI

InChI=1S/C14H26O17S2/c1-25-11-7(16)6(4-27-32(19,20)21)29-14(8(11)17)30-10-5(3-15)28-13(26-2)9(18)12(10)31-33(22,23)24/h5-18H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24)/t5-,6+,7-,8+,9-,10+,11-,12-,13+,14-/m0/s1