methyl (1S,4aS,8S,8aS)-8-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-methyl-3-oxidanyl-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

Systemtic Name: methyl (1S,4aS,8S,8aS)-8-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-methyl-3-oxidanyl-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate Openeye Name: methyl (1S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate CAS Name: (1S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate Traditional Name: (1S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylic acid methyl ester Formula: C23H36O16 MolecularWeight: 568.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC(O1)O)C(=COC2OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C(=O)OC

Isomeric SMILES

C[C@H]1[C@@H]2[C@H](CC(O1)O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C(=O)OC

InChI

InChI=1S/C23H36O16/c1-7-13-8(3-12(25)36-7)9(20(32)33-2)5-34-21(13)39-23-19(31)17(29)15(27)11(38-23)6-35-22-18(30)16(28)14(26)10(4-24)37-22/h5,7-8,10-19,21-31H,3-4,6H2,1-2H3/t7-,8+,10+,11+,12?,13+,14+,15+,16-,17-,18+,19+,21-,22+,23-/m0/s1