O3-[(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] O1-(phenylmethyl) propanedioate

Systemtic Name: O3-[(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] O1-(phenylmethyl) propanedioate Openeye Name: O1-benzyl O3-[(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] propanedioate CAS Name: propanedioic acid O3-[(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] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-[(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] propanedioate Traditional Name: malonic acid O1-benzyl ester O3-[(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] ester Formula: C37H38O19 MolecularWeight: 786.68622

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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)OCC6=CC=CC=C6)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)OCC6=CC=CC=C6)O)O)O)O

InChI

InChI=1S/C37H38O19/c1-15-27(44)30(47)31(48)36(52-15)51-14-23-28(45)34(55-25(43)12-24(42)50-13-16-5-3-2-4-6-16)32(49)37(54-23)56-35-29(46)26-21(41)10-18(38)11-22(26)53-33(35)17-7-8-19(39)20(40)9-17/h2-11,15,23,27-28,30-32,34,36-41,44-45,47-49H,12-14H2,1H3/t15-,23+,27-,28+,30+,31+,32+,34-,36+,37-/m0/s1