[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-(3-acetyloxy-4-methoxy-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-oxan-2-yl]methoxy]oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-(3-acetyloxy-4-methoxy-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-oxan-2-yl]methoxy]oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4R,5R,6R)-4,5-diacetoxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[2-(3-acetoxy-4-methoxy-phenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[2-(3-acetyloxy-4-methoxyphenyl)-5-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-2-oxanyl]methoxy]-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-(3-acetyloxy-4-methoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4R,5R,6R)-4,5-diacetoxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[2-(3-acetoxy-4-methoxy-phenyl)-5-hydroxy-4-keto-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl] ester Formula: C42H46O22 MolecularWeight: 902.80144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)OC(=O)C)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

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=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)OC(=O)C)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C42H46O22/c1-17-35(56-19(3)44)37(58-21(5)46)39(60-23(7)48)41(54-17)53-16-33-36(57-20(4)45)38(59-22(6)47)40(61-24(8)49)42(64-33)62-26-13-27(50)34-28(51)15-30(63-32(34)14-26)25-10-11-29(52-9)31(12-25)55-18(2)43/h10-15,17,33,35-42,50H,16H2,1-9H3/t17-,33+,35-,36+,37+,38-,39+,40+,41+,42+/m0/s1