[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-3-yl]methyl 3,5-dimethoxy-4-oxidanyl-benzoate

Systemtic Name: [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-3-yl]methyl 3,5-dimethoxy-4-oxidanyl-benzoate Openeye Name: [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl 4-hydroxy-3,5-dimethoxy-benzoate CAS Name: 4-hydroxy-3,5-dimethoxybenzoic acid [(3S,4R,5S)-5-[[(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-3,4-dihydroxy-3-oxolanyl]methyl ester IUPAC Name: [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate Traditional Name: 4-hydroxy-3,5-dimethoxy-benzoic acid [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(3,4-dimethoxyphenoxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl ester Formula: C28H36O16 MolecularWeight: 628.57584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)OC)O)OC)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@](CO3)(COC(=O)C4=CC(=C(C(=C4)OC)O)OC)O)O)OC

InChI

InChI=1S/C28H36O16/c1-36-15-6-5-14(9-16(15)37-2)42-26-23(22(32)21(31)19(10-29)43-26)44-27-24(33)28(35,12-41-27)11-40-25(34)13-7-17(38-3)20(30)18(8-13)39-4/h5-9,19,21-24,26-27,29-33,35H,10-12H2,1-4H3/t19-,21-,22+,23-,24+,26-,27+,28-/m1/s1