azanium 2-[(2R,3S,4S,5R,6R)-6-[(1R)-1-[(3S,5S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5S)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-oxan-2-yl]oxy-5-[(2S,3S,5R,6R)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4,5-dimethoxy-3-methyl-2-oxidanyl-oxan-2-yl]ethanoate

Systemtic Name: azanium 2-[(2R,3S,4S,5R,6R)-6-[(1R)-1-[(3S,5S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5S)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-oxan-2-yl]oxy-5-[(2S,3S,5R,6R)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4,5-dimethoxy-3-methyl-2-oxidanyl-oxan-2-yl]ethanoate Openeye Name: ammonium 2-[(2R,3S,4S,5R,6R)-6-[(1R)-1-[(3S,5S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5S)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2S,3S,5R,6R)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyl-tetrahydropyran-2-yl]acetate CAS Name: ammonium 2-[(2R,3S,4S,5R,6R)-6-[(1R)-1-[(3S,5S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5S)-3-[[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-2-oxanyl]oxy]-5-[(2S,3S,5R,6R)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-5-methyl-2-oxolanyl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyl-2-oxanyl]acetate IUPAC Name: azanium 2-[(2R,3S,4S,5R,6R)-6-[(1R)-1-[(3S,5S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5S)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6R)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetate Traditional Name: ammonium 2-[(2R,3S,4S,5R,6R)-6-[(1R)-1-[(3S,5S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,5S)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2S,3S,5R,6R)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyl-tetrahydropyran-2-yl]acetate Formula: C47H83NO17 MolecularWeight: 934.15842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)[O-])O)C)OC)OC)C)O)C)C)OC7CC(C(C(O7)C)OC)OC)(C)O)C.[NH4+]

Isomeric SMILES

C[C@H]1C[C@H]([C@](O[C@@H]1[C@@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)[O-])O)C)OC)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@H]([C@@H](O7)C)OC)OC)(C)O)C.[NH4+]

InChI

InChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31-,32-,33+,35+,36-,37-,38+,39-,40-,41-,42+,43-,44-,45+,46-,47+;/m0./s1