[(2S,3R,4S,5R,6R)-6-[[(2S,3R,4R,5R,6S)-6-[[3-(4-hydroxyphenyl)-6-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-8-oxidanyl-1-oxidanylidene-4H-naphthalen-2-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,5R,6R)-6-[[(2S,3R,4R,5R,6S)-6-[[3-(4-hydroxyphenyl)-6-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-8-oxidanyl-1-oxidanylidene-4H-naphthalen-2-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[8-hydroxy-3-(4-hydroxyphenyl)-1-oxo-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4H-naphthalen-2-yl]oxy]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[8-hydroxy-3-(4-hydroxyphenyl)-1-oxo-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-4H-naphthalen-2-yl]oxy]-2-oxanyl]methoxy]-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[8-hydroxy-3-(4-hydroxyphenyl)-1-oxo-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4H-naphthalen-2-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[8-hydroxy-3-(4-hydroxyphenyl)-1-keto-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4H-naphthalen-2-yl]oxy]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl] ester Formula: C36H44O19 MolecularWeight: 780.72316

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)CC(=C(C3=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)C)OC(=O)C)O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=CC(=C3C(=C2)CC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)CO[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC(=O)C)O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O

InChI

InChI=1S/C36H44O19/c1-12-23(40)26(43)29(46)35(50-12)53-18-8-16-9-19(15-4-6-17(38)7-5-15)33(25(42)22(16)20(39)10-18)55-36-30(47)27(44)24(41)21(54-36)11-49-34-31(48)28(45)32(13(2)51-34)52-14(3)37/h4-8,10,12-13,21,23-24,26-32,34-36,38-41,43-48H,9,11H2,1-3H3/t12-,13-,21-,23-,24-,26+,27+,28-,29+,30+,31+,32-,34+,35+,36-/m0/s1