[(2R,3S,4S,5R,6S)-6-(2-ethanoyl-5-methoxy-phenoxy)-2-[[(2R,3R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-(2-ethanoyl-5-methoxy-phenoxy)-2-[[(2R,3R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-(2-acetyl-5-methoxy-phenoxy)-2-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-4,5-dihydroxy-tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-(2-acetyl-5-methoxyphenoxy)-2-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-4,5-dihydroxy-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-(2-acetyl-5-methoxyphenoxy)-2-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-(2-acetyl-5-methoxy-phenoxy)-2-[[(2R,3R)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxymethyl]-4,5-dihydroxy-tetrahydropyran-3-yl] ester Formula: C27H32O16 MolecularWeight: 612.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H32O16/c1-11(29)14-4-3-13(38-2)7-17(14)41-25-21(34)20(33)22(43-24(36)12-5-15(30)19(32)16(31)6-12)18(42-25)8-39-26-23(35)27(37,9-28)10-40-26/h3-7,18,20-23,25-26,28,30-35,37H,8-10H2,1-2H3/t18-,20+,21-,22-,23+,25-,26-,27?/m1/s1