[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(4S)-4-oxidanyl-8-oxidanylidene-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]oxan-3-yl] 2-(3-hydroxyphenyl)-4,6-bis(oxidanyl)benzoate

Systemtic Name: [(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(4S)-4-oxidanyl-8-oxidanylidene-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]oxan-3-yl] 2-(3-hydroxyphenyl)-4,6-bis(oxidanyl)benzoate Openeye Name: [(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(4S)-4-hydroxy-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]tetrahydropyran-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate CAS Name: 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoic acid [(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(4S)-4-hydroxy-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(4S)-4-hydroxy-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate Traditional Name: 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoic acid [(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[[(4S)-4-hydroxy-8-keto-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-6-methylol-tetrahydropyran-3-yl] ester Formula: C27H28O14 MolecularWeight: 576.50282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C2=COC(C(C21)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O

Isomeric SMILES

C1COC(=O)C2=COC([C@H](C21)O)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4C5=CC(=CC=C5)O)O)O

InChI

InChI=1S/C27H28O14/c28-9-18-21(33)22(34)23(27(39-18)41-26-20(32)14-4-5-37-24(35)16(14)10-38-26)40-25(36)19-15(7-13(30)8-17(19)31)11-2-1-3-12(29)6-11/h1-3,6-8,10,14,18,20-23,26-34H,4-5,9H2/t14?,18-,20+,21-,22-,23-,26?,27+/m1/s1