3-[(2S,3R,4S,5R,6R)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(2S,3R,4S,5R,6R)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3-oxidanylidene-propanoic acid Openeye Name: 3-[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl]oxy-3-oxo-propanoic acid CAS Name: 3-[[(2S,3R,4S,5R,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl]oxy]-3,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-4-oxanyl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl]oxy-3-oxopropanoic acid Traditional Name: 3-[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl]oxy-3-keto-propionic acid Formula: C30H32O19 MolecularWeight: 696.56368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)OC(=O)CC(=O)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)OC(=O)CC(=O)O)O)O)O)O

InChI

InChI=1S/C30H32O19/c1-9-20(38)23(41)24(42)29(45-9)44-8-16-21(39)27(48-18(37)7-17(35)36)25(43)30(47-16)49-28-22(40)19-14(34)5-11(31)6-15(19)46-26(28)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,27,29-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16+,20-,21+,23+,24+,25+,27-,29+,30-/m0/s1