[(2S,4'S,4aR,5S,5'R,7R,8S,8aS)-5'-acetamido-4',8-diacetyloxy-5-[(2R,3S,4R,5R,6S)-4-acetyloxy-2-(acetyloxymethyl)-5-(prop-2-enoxycarbonylamino)-6-[(2S,3R,4S,5S,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-oxan-3-yl]oxy-3-oxidanylidene-6'-[(1R,2S)-1,2,3-triacetyloxypropyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-oxane]-7-yl]methyl ethanoate

Systemtic Name: [(2S,4'S,4aR,5S,5'R,7R,8S,8aS)-5'-acetamido-4',8-diacetyloxy-5-[(2R,3S,4R,5R,6S)-4-acetyloxy-2-(acetyloxymethyl)-5-(prop-2-enoxycarbonylamino)-6-[(2S,3R,4S,5S,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-oxan-3-yl]oxy-3-oxidanylidene-6'-[(1R,2S)-1,2,3-triacetyloxypropyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-oxane]-7-yl]methyl ethanoate Openeye Name: [(2S,4'S,4aR,5S,5'R,7R,8S,8aS)-5'-acetamido-4',8-diacetoxy-5-[(2R,3S,4R,5R,6S)-4-acetoxy-2-(acetoxymethyl)-5-(allyloxycarbonylamino)-6-[(2S,3R,4S,5S,6R)-2,3,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]oxy-3-oxo-6'-[(1R,2S)-1,2,3-triacetoxypropyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-tetrahydropyran]-7-yl]methyl acetate CAS Name: acetic acid [(2S,4'S,4aR,5S,5'R,7R,8S,8aS)-5'-acetamido-4',8-diacetyloxy-5-[[(2R,3S,4R,5R,6S)-4-acetyloxy-2-(acetyloxymethyl)-5-[[oxo(prop-2-enoxy)methyl]amino]-6-[[(2S,3R,4S,5S,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)-4-oxanyl]oxy]-3-oxanyl]oxy]-3-oxo-6'-[(1R,2S)-1,2,3-triacetyloxypropyl]-7-spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-2,2'-oxane]yl]methyl ester IUPAC Name: [(2S,4'S,4aR,5S,5'R,7R,8S,8aS)-5'-acetamido-4',8-diacetyloxy-5-[(2R,3S,4R,5R,6S)-4-acetyloxy-2-(acetyloxymethyl)-5-(prop-2-enoxycarbonylamino)-6-[(2S,3R,4S,5S,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-3-oxo-6'-[(1R,2S)-1,2,3-triacetyloxypropyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-oxane]-7-yl]methyl acetate Traditional Name: acetic acid [(2S,4'S,4aR,5S,5'R,7R,8S,8aS)-5'-acetamido-4',8-diacetoxy-5-[(2R,3S,4R,5R,6S)-4-acetoxy-2-(acetoxymethyl)-5-(allyloxycarbonylamino)-6-[(2S,3R,4S,5S,6R)-2,3,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]oxy-3-keto-6'-[(1R,2S)-1,2,3-triacetoxypropyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-2,2'-tetrahydropyran]-7-yl]methyl ester Formula: C57H76N2O36 MolecularWeight: 1365.20514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC2(C(=O)OC3C(O2)C(C(OC3OC4C(OC(C(C4OC(=O)C)NC(=O)OCC=C)OC5C(C(OC(C5OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@]2(C(=O)O[C@@H]3[C@@H](O2)[C@H]([C@H](O[C@H]3O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4OC(=O)C)NC(=O)OCC=C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC1[C@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C57H76N2O36/c1-15-16-75-56(74)59-41-46(85-32(12)70)42(37(19-77-24(4)62)88-52(41)92-48-44(83-30(10)68)38(20-78-25(5)63)89-53(87-34(14)72)50(48)86-33(13)71)91-54-51-49(45(84-31(11)69)39(90-54)21-79-26(6)64)95-57(55(73)93-51)17-35(80-27(7)65)40(58-22(2)60)47(94-57)43(82-29(9)67)36(81-28(8)66)18-76-23(3)61/h15,35-54H,1,16-21H2,2-14H3,(H,58,60)(H,59,74)/t35-,36-,37+,38+,39+,40+,41+,42+,43-,44-,45-,46+,47?,48-,49-,50+,51+,52-,53+,54-,57-/m0/s1