3-[6-[6-(hydroxymethyl)-4-oxidanyl-2-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-3-yl]oxycarbonyl-2,3,4-tris(oxidanyl)phenyl]-2-methoxycarbonyl-6-oxidanylidene-oxane-4-carboxylic acid

Systemtic Name: 3-[6-[6-(hydroxymethyl)-4-oxidanyl-2-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-3-yl]oxycarbonyl-2,3,4-tris(oxidanyl)phenyl]-2-methoxycarbonyl-6-oxidanylidene-oxane-4-carboxylic acid Openeye Name: 2-methoxycarbonyl-6-oxo-3-[2,3,4-trihydroxy-6-[4-hydroxy-6-(hydroxymethyl)-2-(3,4,5-trihydroxybenzoyl)oxy-tetrahydropyran-3-yl]oxycarbonyl-phenyl]tetrahydropyran-4-carboxylic acid CAS Name: 2-methoxycarbonyl-6-oxo-3-[2,3,4-trihydroxy-6-[[4-hydroxy-6-(hydroxymethyl)-2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-3-oxanyl]oxy-oxomethyl]phenyl]-4-oxanecarboxylic acid IUPAC Name: 2-methoxycarbonyl-6-oxo-3-[2,3,4-trihydroxy-6-[4-hydroxy-6-(hydroxymethyl)-2-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxycarbonylphenyl]oxane-4-carboxylic acid Traditional Name: 2-carbomethoxy-3-[6-(2-galloyloxy-4-hydroxy-6-methylol-tetrahydropyran-3-yl)oxycarbonyl-2,3,4-trihydroxy-phenyl]-6-keto-tetrahydropyran-4-carboxylic acid Formula: C28H28O19 MolecularWeight: 668.51052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(CC(=O)O1)C(=O)O)C2=C(C(=C(C=C2C(=O)OC3C(CC(OC3OC(=O)C4=CC(=C(C(=C4)O)O)O)CO)O)O)O)O

Isomeric SMILES

COC(=O)C1C(C(CC(=O)O1)C(=O)O)C2=C(C(=C(C=C2C(=O)OC3C(CC(OC3OC(=O)C4=CC(=C(C(=C4)O)O)O)CO)O)O)O)O

InChI

InChI=1S/C28H28O19/c1-43-27(42)23-18(10(24(38)39)6-16(34)45-23)17-11(5-14(32)20(36)21(17)37)26(41)46-22-15(33)4-9(7-29)44-28(22)47-25(40)8-2-12(30)19(35)13(31)3-8/h2-3,5,9-10,15,18,22-23,28-33,35-37H,4,6-7H2,1H3,(H,38,39)