[(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-3-phenylmethoxy-oxan-2-yl]oxy-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxymethoxymethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-4-yl]oxy-4-acetyloxy-2-methyl-5-phenylmethoxy-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-3-phenylmethoxy-oxan-2-yl]oxy-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxymethoxymethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-4-yl]oxy-4-acetyloxy-2-methyl-5-phenylmethoxy-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-4,5-diacetoxy-3-benzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxymethoxymethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-4-acetoxy-5-benzyloxy-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6S)-6-[[(2R,3S,4R,5R,6S)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-3-phenylmethoxy-2-oxanyl]oxy]-6-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxymethoxymethyl]-6-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-4-oxanyl]oxy]-4-acetyloxy-2-methyl-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-3-phenylmethoxyoxan-2-yl]oxy-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxymethoxymethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4-acetyloxy-2-methyl-5-phenylmethoxyoxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-4,5-diacetoxy-3-benzoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxymethoxymethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-4-acetoxy-5-benzoxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C91H118N2O40 MolecularWeight: 1879.90002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)COCC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)COCOCC5C(C(C(C(O5)OC)NC(=O)C)OC6C(C(C(C(O6)C)OC(=O)C)OC(=O)C)OCC7=CC=CC=C7)OC8C(C(C(C(O8)COCC9=CC=CC=C9)OC(=O)C)OC(=O)C)OC(=O)C)OC)NC(=O)C)OCC1=CC=CC=C1)OC(=O)C)OC(=O)C

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)COCC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)COCOC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OC)NC(=O)C)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)C)OC(=O)C)OCC7=CC=CC=C7)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)COCC9=CC=CC=C9)OC(=O)C)OC(=O)C)OC(=O)C)OC)NC(=O)C)OCC1=CC=CC=C1)OC(=O)C)OC(=O)C

InChI

InChI=1S/C91H118N2O40/c1-46-70(116-50(5)96)78(120-54(9)100)82(112-39-62-33-25-19-26-34-62)88(114-46)132-76-68(92-48(3)94)86(106-15)126-66(72(76)130-90-84(124-58(13)104)80(122-56(11)102)74(118-52(7)98)64(128-90)41-108-37-60-29-21-17-22-30-60)43-110-45-111-44-67-73(131-91-85(125-59(14)105)81(123-57(12)103)75(119-53(8)99)65(129-91)42-109-38-61-31-23-18-24-32-61)77(69(93-49(4)95)87(107-16)127-67)133-89-83(113-40-63-35-27-20-28-36-63)79(121-55(10)101)71(47(2)115-89)117-51(6)97/h17-36,46-47,64-91H,37-45H2,1-16H3,(H,92,94)(H,93,95)/t46-,47-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74-,75-,76+,77+,78+,79+,80-,81-,82-,83-,84+,85+,86-,87-,88-,89-,90-,91-/m0/s1