[4-acetyloxy-6-(acetyloxymethyl)-2-[[(4R,4aR)-4-ethenyl-4a-oxidanyl-8-oxidanylidene-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-5-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-phenyl]carbonyloxy-oxan-3-yl] 2,3-bis(oxidanyl)benzoate

Systemtic Name: [4-acetyloxy-6-(acetyloxymethyl)-2-[[(4R,4aR)-4-ethenyl-4a-oxidanyl-8-oxidanylidene-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-5-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-phenyl]carbonyloxy-oxan-3-yl] 2,3-bis(oxidanyl)benzoate Openeye Name: [2-[[(4R,4aR)-4a-hydroxy-8-oxo-4-vinyl-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4-acetoxy-6-(acetoxymethyl)-5-[2-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]oxy-tetrahydropyran-3-yl] 2,3-dihydroxybenzoate CAS Name: 2,3-dihydroxybenzoic acid [4-acetyloxy-6-(acetyloxymethyl)-2-[[(4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-5-[[2-hydroxy-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-oxomethoxy]-3-oxanyl] ester IUPAC Name: [4-acetyloxy-6-(acetyloxymethyl)-2-[[(4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-5-[2-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyoxan-3-yl] 2,3-dihydroxybenzoate Traditional Name: 2,3-dihydroxybenzoic acid [2-[[(4R,4aR)-4a-hydroxy-8-keto-4-vinyl-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4-acetoxy-6-(acetoxymethyl)-5-[2-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoyl]oxy-tetrahydropyran-3-yl] ester Formula: C40H44O23 MolecularWeight: 892.76356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(C3(CCOC(=O)C3=CO2)O)C=C)OC(=O)C4=C(C(=CC=C4)O)O)OC(=O)C)OC(=O)C5=C(C(=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC2[C@@H]([C@@]3(CCOC(=O)C3=CO2)O)C=C)OC(=O)C4=C(C(=CC=C4)O)O)OC(=O)C)OC(=O)C5=C(C(=CC=C5)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)O

InChI

InChI=1S/C40H44O23/c1-4-20-37(56-14-21-36(52)54-12-11-40(20,21)53)63-39-33(62-34(50)18-7-5-9-22(44)26(18)45)32(57-17(3)43)31(25(60-39)15-55-16(2)42)61-35(51)19-8-6-10-23(27(19)46)58-38-30(49)29(48)28(47)24(13-41)59-38/h4-10,14,20,24-25,28-33,37-39,41,44-49,53H,1,11-13,15H2,2-3H3/t20-,24+,25?,28+,29+,30+,31?,32?,33?,37?,38+,39?,40+/m0/s1