(phenylmethyl) (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-oxidanyl-6-prop-2-enoxy-oxan-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-oxidanyl-6-prop-2-enoxy-oxan-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: benzyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-allyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-tetrahydropyran-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-6-prop-2-enoxy-3-oxanyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dihydroxy-4-oxanyl]oxy]-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-6-prop-2-enoxyoxan-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-allyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-tetrahydropyran-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid benzyl ester Formula: C75H96N2O23Si2 MolecularWeight: 1449.73534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OCC2=CC=CC=C2)OC3C(C(OC(C3O)OC4C(OC(C(C4O)NC(=O)C)OCC=C)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C)O)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OCC2=CC=CC=C2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)OCC=C)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C)O)OC(=O)C

InChI

InChI=1S/C75H96N2O23Si2/c1-14-40-88-70-62(77-47(3)79)64(85)66(60(97-70)45-92-102(74(11,12)13,55-36-26-18-27-37-55)56-38-28-19-29-39-56)98-71-65(86)69(63(84)58(96-71)44-91-101(73(8,9)10,53-32-22-16-23-33-53)54-34-24-17-25-35-54)100-75(72(87)90-42-52-30-20-15-21-31-52)41-57(93-49(5)81)61(76-46(2)78)68(99-75)67(95-51(7)83)59(94-50(6)82)43-89-48(4)80/h14-39,57-71,84-86H,1,40-45H2,2-13H3,(H,76,78)(H,77,79)/t57-,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69-,70+,71-,75-/m0/s1