[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-4-acetyloxy-6-[(2S,3R,4S,5S,6R)-3-acetyloxy-2-[(2R,3S,4R,5R,6R)-4-acetyloxy-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2,2-dimethylpropanoyloxymethyl)-6-phenylmethoxy-oxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-5-oxidanyl-oxan-4-yl]oxy-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2,2-dimethylpropanoyloxymethyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-4-acetyloxy-6-[(2S,3R,4S,5S,6R)-3-acetyloxy-2-[(2R,3S,4R,5R,6R)-4-acetyloxy-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2,2-dimethylpropanoyloxymethyl)-6-phenylmethoxy-oxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-5-oxidanyl-oxan-4-yl]oxy-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2,2-dimethylpropanoyloxymethyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-4-acetoxy-6-[(2S,3R,4S,5S,6R)-3-acetoxy-2-[(2R,3S,4R,5R,6R)-4-acetoxy-6-benzyloxy-2-(2,2-dimethylpropanoyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-5-hydroxy-tetrahydropyran-4-yl]oxy-2-(2,2-dimethylpropanoyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-4-acetyloxy-6-[[(2S,3R,4S,5S,6R)-3-acetyloxy-2-[[(2R,3S,4R,5R,6R)-4-acetyloxy-2-[(2,2-dimethyl-1-oxopropoxy)methyl]-5-(1,3-dioxo-2-isoindolyl)-6-phenylmethoxy-3-oxanyl]oxy]-6-[(2,2-dimethyl-1-oxopropoxy)methyl]-5-hydroxy-4-oxanyl]oxy]-2-[(2,2-dimethyl-1-oxopropoxy)methyl]-5-(1,3-dioxo-2-isoindolyl)-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-4-acetyloxy-6-[(2S,3R,4S,5S,6R)-3-acetyloxy-2-[(2R,3S,4R,5R,6R)-4-acetyloxy-2-(2,2-dimethylpropanoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-phenylmethoxyoxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-5-hydroxyoxan-4-yl]oxy-2-(2,2-dimethylpropanoyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-4-acetoxy-6-[(2S,3R,4S,5S,6R)-3-acetoxy-2-[(2R,3S,4R,5R,6R)-4-acetoxy-6-benzoxy-5-phthalimido-2-(pivaloyloxymethyl)tetrahydropyran-3-yl]oxy-5-hydroxy-6-(pivaloyloxymethyl)tetrahydropyran-4-yl]oxy-5-phthalimido-2-(pivaloyloxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C73H92N2O30 MolecularWeight: 1477.50698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC2C(C(C(C(O2)COC(=O)C(C)(C)C)O)OC3C(C(C(C(O3)COC(=O)C(C)(C)C)OC4C(C(C(C(O4)COC(=O)C(C)(C)C)O)O)O)OC(=O)C)N5C(=O)C6=CC=CC=C6C5=O)OC(=O)C)COC(=O)C(C)(C)C)OCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C(C)(C)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C(C)(C)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C(C)(C)C)O)O)O)OC(=O)C)N5C(=O)C6=CC=CC=C6C5=O)OC(=O)C)COC(=O)C(C)(C)C)OCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O

InChI

InChI=1S/C73H92N2O30/c1-34(76)96-54-46(74-58(83)38-25-19-20-26-39(38)59(74)84)62(91-29-37-23-17-16-18-24-37)101-44(32-94-68(89)72(10,11)12)53(54)104-65-57(98-36(3)78)56(49(80)43(100-65)31-93-67(88)71(7,8)9)105-63-47(75-60(85)40-27-21-22-28-41(40)61(75)86)55(97-35(2)77)52(45(102-63)33-95-69(90)73(13,14)15)103-64-51(82)50(81)48(79)42(99-64)30-92-66(87)70(4,5)6/h16-28,42-57,62-65,79-82H,29-33H2,1-15H3/t42-,43-,44-,45-,46-,47-,48+,49+,50+,51-,52-,53-,54-,55-,56+,57-,62-,63+,64+,65+/m1/s1