(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3-oxidanyl-4-oxidanylidene-furan-2-olate; [(2R,3S,4S,5S,6R)-2-[[(20S,21R,22R,23S,27R,29R,32R,33R,35S,37R,39S)-40-(hydroxymethyl)-2,20,22,23-tetramethyl-21,27,29,32,33,35,37,39-octakis(oxidanyl)-25-oxidanylidene-24,41-dioxabicyclo[35.3.1]hentetraconta-4,6,8,10,12,14,16,18-octaen-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl]azanium

Systemtic Name: (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3-oxidanyl-4-oxidanylidene-furan-2-olate; [(2R,3S,4S,5S,6R)-2-[[(20S,21R,22R,23S,27R,29R,32R,33R,35S,37R,39S)-40-(hydroxymethyl)-2,20,22,23-tetramethyl-21,27,29,32,33,35,37,39-octakis(oxidanyl)-25-oxidanylidene-24,41-dioxabicyclo[35.3.1]hentetraconta-4,6,8,10,12,14,16,18-octaen-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl]azanium Openeye Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxo-furan-2-olate; [(2R,3S,4S,5S,6R)-3,5-dihydroxy-2-methyl-6-[[(20S,21R,22R,23S,27R,29R,32R,33R,35S,37R,39S)-21,27,29,32,33,35,37,39-octahydroxy-40-(hydroxymethyl)-2,20,22,23-tetramethyl-25-oxo-24,41-dioxabicyclo[35.3.1]hentetraconta-4,6,8,10,12,14,16,18-octaen-3-yl]oxy]tetrahydropyran-4-yl]ammonium CAS Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxo-2-furanolate; [(2R,3S,4S,5S,6R)-3,5-dihydroxy-2-methyl-6-[[(20S,21R,22R,23S,27R,29R,32R,33R,35S,37R,39S)-21,27,29,32,33,35,37,39-octahydroxy-40-(hydroxymethyl)-2,20,22,23-tetramethyl-25-oxo-24,41-dioxabicyclo[35.3.1]hentetraconta-4,6,8,10,12,14,16,18-octaen-3-yl]oxy]-4-oxanyl]ammonium IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxofuran-2-olate; [(2R,3S,4S,5S,6R)-3,5-dihydroxy-2-methyl-6-[[(20S,21R,22R,23S,27R,29R,32R,33R,35S,37R,39S)-21,27,29,32,33,35,37,39-octahydroxy-40-(hydroxymethyl)-2,20,22,23-tetramethyl-25-oxo-24,41-dioxabicyclo[35.3.1]hentetraconta-4,6,8,10,12,14,16,18-octaen-3-yl]oxy]oxan-4-yl]azanium Traditional Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-keto-furan-2-olate; [(2R,3S,4S,5S,6R)-3,5-dihydroxy-2-methyl-6-[[(20S,21R,22R,23S,27R,29R,32R,33R,35S,37R,39S)-21,27,29,32,33,35,37,39-octahydroxy-25-keto-2,20,22,23-tetramethyl-40-methylol-24,41-dioxabicyclo[35.3.1]hentetraconta-4,6,8,10,12,14,16,18-octaen-3-yl]oxy]tetrahydropyran-4-yl]ammonium Formula: C56H87NO22 MolecularWeight: 1126.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC=CC=CC=CC=CC=CC=CC(C(C2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)CO)C)OC3C(C(C(C(O3)C)O)[NH3+])O.C(C(C1C(=O)C(=C(O1)[O-])O)O)O

Isomeric SMILES

C[C@H]1C=CC=CC=CC=CC=CC=CC=CC=CC(C(C2C([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)CO)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)[NH3+])O.C([C@@H]([C@@H]1C(=O)C(=C(O1)[O-])O)O)O

InChI

InChI=1S/C50H79NO16.C6H8O6/c1-30-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-42(66-49-47(62)44(51)46(61)34(5)65-49)32(3)48-38(29-52)41(58)28-50(63,67-48)27-37(55)25-40(57)39(56)23-22-35(53)24-36(54)26-43(59)64-33(4)31(2)45(30)60;7-1-2(8)5-3(9)4(10)6(11)12-5/h6-21,30-42,44-49,52-58,60-63H,22-29,51H2,1-5H3;2,5,7-8,10-11H,1H2/t30-,31-,32?,33-,34+,35+,36+,37-,38?,39+,40+,41-,42?,44-,45+,46+,47-,48?,49-,50+;2-,5+/m00/s1