[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-5-[2,2,2-tris(chloranyl)ethanoylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-5-[2,2,2-tris(chloranyl)ethanoylamino]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-3-acetoxy-6-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-5-benzyloxy-2-methoxy-6-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-3-yl]oxy-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-4-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-3-oxanyl]oxy]-6-methyl-3-oxanyl]oxy]-4-[[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]oxy]-5-[(2,2,2-trichloro-1-oxoethyl)amino]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl]oxy-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-3-acetoxy-6-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-5-benzoxy-2-methoxy-6-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-3-yl]oxy-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]tetrahydropyran-2-yl]methyl ester Formula: C78H94Cl3NO28 MolecularWeight: 1599.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC)C)OCC3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OC9C(C(C(C(O9)COC(=O)C)OC(=O)C)OC1C(C(C(C(O1)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C(Cl)(Cl)Cl)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC)C)OCC3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COC(=O)C)OC(=O)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C(Cl)(Cl)Cl)O)O

InChI

InChI=1S/C78H94Cl3NO28/c1-42-58(88)59(89)65(108-72-57(82-77(90)78(79,80)81)64(63(102-47(6)85)56(105-72)41-93-45(4)83)107-76-71(104-49(8)87)68(103-48(7)86)61(44(3)100-76)101-46(5)84)74(98-42)110-70-67(60(43(2)99-73(70)91-9)94-36-51-27-17-11-18-28-51)109-75-69(97-39-54-33-23-14-24-34-54)66(96-38-53-31-21-13-22-32-53)62(95-37-52-29-19-12-20-30-52)55(106-75)40-92-35-50-25-15-10-16-26-50/h10-34,42-44,55-76,88-89H,35-41H2,1-9H3,(H,82,90)/t42-,43-,44-,55+,56+,57+,58-,59+,60-,61-,62+,63+,64+,65+,66-,67+,68+,69+,70+,71+,72-,73+,74-,75+,76-/m0/s1