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

Systemtic Name: [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-5-acetyloxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-diacetyloxy-4-oxidanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-5-acetoxy-2,3-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-4-yl]oxy-2-(benzyloxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-diacetoxy-4-hydroxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[[(2S,3R,4S,5S,6R)-5-acetyloxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-oxanyl]oxy]-4-[[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-3,5-diacetyloxy-4-hydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-5-acetyloxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-diacetyloxy-4-hydroxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-5-acetoxy-2,3-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-4-yl]oxy-2-(benzoxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-diacetoxy-4-hydroxy-tetrahydropyran-2-yl]methyl ester Formula: C83H95NO24 MolecularWeight: 1490.6347

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)O)OC(=O)C)COCC4=CC=CC=C4)OC5C(C(OC(C5OCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8)OC(=O)C)NC(=O)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)O)OC(=O)C)COCC4=CC=CC=C4)O[C@H]5[C@H]([C@H](O[C@@H]([C@@H]5OCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8)OC(=O)C)NC(=O)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C83H95NO24/c1-52-70(94-44-60-32-18-9-19-33-60)76(95-45-61-34-20-10-21-35-61)78(96-46-62-36-22-11-23-37-62)83(99-52)107-74-68(84-53(2)85)80(103-65(49-91-42-58-28-14-7-15-29-58)72(74)106-82-75(102-57(6)89)69(90)71(100-55(4)87)67(105-82)51-93-54(3)86)108-77-73(101-56(5)88)66(50-92-43-59-30-16-8-17-31-59)104-81(98-48-64-40-26-13-27-41-64)79(77)97-47-63-38-24-12-25-39-63/h7-41,52,65-83,90H,42-51H2,1-6H3,(H,84,85)/t52-,65+,66+,67+,68+,69-,70+,71-,72+,73-,74+,75+,76+,77-,78-,79+,80-,81-,82-,83-/m0/s1