(4R,5S,6S,7R,9R,15S,16R)-7-(2,2-dimethoxyethyl)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4,14-bis(oxidanyl)-1-oxacyclohexadecane-2,10-dione

Systemtic Name: (4R,5S,6S,7R,9R,15S,16R)-7-(2,2-dimethoxyethyl)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4,14-bis(oxidanyl)-1-oxacyclohexadecane-2,10-dione Openeye Name: (4R,5S,6S,7R,9R,15S,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-(2,2-dimethoxyethyl)-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-oxacyclohexadecane-2,10-dione CAS Name: (4R,5S,6S,7R,9R,15S,16R)-6-[[(2R,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-7-(2,2-dimethoxyethyl)-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-oxacyclohexadecane-2,10-dione IUPAC Name: (4R,5S,6S,7R,9R,15S,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-(2,2-dimethoxyethyl)-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-oxacyclohexadecane-2,10-dione Traditional Name: (4R,5S,6S,7R,9R,15S,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-(2,2-dimethoxyethyl)-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-oxacyclohexadecane-2,10-quinone Formula: C48H87NO19 MolecularWeight: 982.19968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(CCC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC(OC)OC)C)C)O)COC4C(C(C(C(O4)C)O)OC)OC

Isomeric SMILES

CC[C@@H]1[C@H](C(C(CCC(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC(OC)OC)C)C)O)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC

InChI

InChI=1S/C48H87NO19/c1-15-33-30(22-62-47-44(61-14)43(60-13)39(54)26(5)64-47)38(53)23(2)16-17-31(50)24(3)18-29(19-35(58-11)59-12)41(25(4)32(51)20-34(52)66-33)68-46-40(55)37(49(9)10)42(27(6)65-46)67-36-21-48(8,57)45(56)28(7)63-36/h23-30,32-33,35-47,51,53-57H,15-22H2,1-14H3/t23?,24-,25+,26-,27-,28+,29-,30-,32-,33-,36+,37-,38?,39-,40-,41-,42-,43-,44-,45+,46+,47-,48-/m1/s1