2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate

C329H424N20O76+6 — CID 157479790

IUPAC2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6cc(OCC[N+](C)(c7ccccn7)C(C)(C)C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6cc(OCc7ccccc7C[N+](C)(C)C(C)(C)C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6ccc(OCC[N+](C)(C)C(C)(C)C)cc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCCCCC[N+](C)(C)C(C)C)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCCN7CC[N+](C)(C(C)(C)C)CC7)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCC[N+]7(C(C)(C)C)CCOCC7)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C58H71N3O12.C56H68N4O12.C55H72N4O13.C54H69N3O14.C54H71N3O13.C52H67N3O12/c1-30-19-18-20-31(2)56(67)60-48-51(65)45-44(47-54(48)72-43-27-40(23-24-41(43)59-47)69-29-39-22-17-16-21-38(39)28-61(13,14)57(9,10)11)46-53(36(7)50(45)64)73-58(12,55(46)66)70-26-25-42(68-15)35(6)52(71-37(8)62)34(5)32(3)33(4)49(30)63;1-29-18-17-19-30(2)54(66)59-46-49(64)43-42(45-52(46)71-40-28-37(21-22-38(40)58-45)68-27-25-60(13,55(9,10)11)41-20-15-16-24-57-41)44-51(35(7)48(43)63)72-56(12,53(44)65)69-26-23-39(67-14)34(6)50(70-36(8)61)33(5)31(3)32(4)47(29)62;1-28-16-15-17-29(2)53(66)57-45-48(64)41-40(44-51(45)71-39-27-36(26-37(61)43(39)56-44)68-25-21-58-19-22-59(13,23-20-58)54(9,10)11)42-50(34(7)47(41)63)72-55(12,52(42)65)69-24-18-38(67-14)33(6)49(70-35(8)60)32(5)30(3)31(4)46(28)62;1-27-15-14-16-28(2)52(64)56-44-47(62)40-39(43-50(44)70-38-26-35(25-36(59)42(38)55-43)67-24-20-57(53(9,10)11)18-22-66-23-19-57)41-49(33(7)46(40)61)71-54(12,51(41)63)68-21-17-37(65-13)32(6)48(69-34(8)58)31(5)29(3)30(4)45(27)60;1-27(2)57(12,13)22-16-15-17-23-66-36-25-37(59)43-39(26-36)69-51-44(55-43)40-41-47(61)34(9)50-42(40)52(63)54(11,70-50)67-24-21-38(65-14)33(8)49(68-35(10)58)32(7)30(5)31(6)46(60)28(3)19-18-20-29(4)53(64)56-45(51)48(41)62;1-26-17-16-18-27(2)50(61)54-42-45(59)39-38(41-48(42)66-37-20-19-34(25-35(37)53-41)63-24-22-55(13,14)51(9,10)11)40-47(32(7)44(39)58)67-52(12,49(40)60)64-23-21-36(62-15)31(6)46(65-33(8)56)30(5)28(3)29(4)43(26)57/h16-27,30,32-35,42,49,52,63H,28-29H2,1-15H3,(H-,59,60,64,65,66,67);15-24,26,28-29,31-34,39,47,50,62H,25,27H2,1-14H3,(H-,58,59,63,64,65,66);15-18,24,26-28,30-33,38,46,49,62H,19-23,25H2,1-14H3,(H2-,56,57,61,63,64,65,66);14-17,21,25-27,29-32,37,45,48,60H,18-20,22-24H2,1-13H3,(H2-,55,56,59,61,62,63,64);18-21,24-28,30-33,38,46,49,60H,15-17,22-23H2,1-14H3,(H2-,55,56,59,61,62,63,64);16-21,23,25-26,28-31,36,43,46,57H,22,24H2,1-15H3,(H-,53,54,58,59,60,61)/p+6/b19-18+,26-25+,31-20-;18-17+,26-23+,30-19-;16-15+,24-18+,29-17-;15-14+,21-17+,28-16-;19-18+,24-21+,29-20-;17-16+,23-21+,27-18-/t30-,32+,33-,34+,35+,42-,49-,52-,58-;29-,31+,32-,33+,34+,39-,47-,50-,56-,60?;28-,30+,31-,32+,33+,38-,46-,49-,55-;27-,29+,30-,31+,32+,37-,45-,48-,54-;28-,30+,31-,32+,33+,38-,46-,49-,54-;26-,28+,29-,30+,31+,36-,43-,46-,52-/m000000/s1
InChIKeyBWALRIAQVNCAEX-JJKOGUPBSA-T
MW5875.08 g/mol
LogP49.74
Rot. Bonds42

About 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate

2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate (PubChem CID 157479790) has the molecular formula C329H424N20O76+6 and a molecular weight of 5875.08 g/mol. Its IUPAC name is 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate.

Molecular Properties

Compound Name2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
PubChem CID157479790
Molecular FormulaC329H424N20O76+6
Molecular Weight5875.08 g/mol
Exact Mass5870.99
IUPAC Name2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6cc(OCC[N+](C)(c7ccccn7)C(C)(C)C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6cc(OCc7ccccc7C[N+](C)(C)C(C)(C)C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6ccc(OCC[N+](C)(C)C(C)(C)C)cc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCCCCC[N+](C)(C)C(C)C)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCCN7CC[N+](C)(C(C)(C)C)CC7)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCC[N+]7(C(C)(C)C)CCOCC7)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C58H71N3O12.C56H68N4O12.C55H72N4O13.C54H69N3O14.C54H71N3O13.C52H67N3O12/c1-30-19-18-20-31(2)56(67)60-48-51(65)45-44(47-54(48)72-43-27-40(23-24-41(43)59-47)69-29-39-22-17-16-21-38(39)28-61(13,14)57(9,10)11)46-53(36(7)50(45)64)73-58(12,55(46)66)70-26-25-42(68-15)35(6)52(71-37(8)62)34(5)32(3)33(4)49(30)63;1-29-18-17-19-30(2)54(66)59-46-49(64)43-42(45-52(46)71-40-28-37(21-22-38(40)58-45)68-27-25-60(13,55(9,10)11)41-20-15-16-24-57-41)44-51(35(7)48(43)63)72-56(12,53(44)65)69-26-23-39(67-14)34(6)50(70-36(8)61)33(5)31(3)32(4)47(29)62;1-28-16-15-17-29(2)53(66)57-45-48(64)41-40(44-51(45)71-39-27-36(26-37(61)43(39)56-44)68-25-21-58-19-22-59(13,23-20-58)54(9,10)11)42-50(34(7)47(41)63)72-55(12,52(42)65)69-24-18-38(67-14)33(6)49(70-35(8)60)32(5)30(3)31(4)46(28)62;1-27-15-14-16-28(2)52(64)56-44-47(62)40-39(43-50(44)70-38-26-35(25-36(59)42(38)55-43)67-24-20-57(53(9,10)11)18-22-66-23-19-57)41-49(33(7)46(40)61)71-54(12,51(41)63)68-21-17-37(65-13)32(6)48(69-34(8)58)31(5)29(3)30(4)45(27)60;1-27(2)57(12,13)22-16-15-17-23-66-36-25-37(59)43-39(26-36)69-51-44(55-43)40-41-47(61)34(9)50-42(40)52(63)54(11,70-50)67-24-21-38(65-14)33(8)49(68-35(10)58)32(7)30(5)31(6)46(60)28(3)19-18-20-29(4)53(64)56-45(51)48(41)62;1-26-17-16-18-27(2)50(61)54-42-45(59)39-38(41-48(42)66-37-20-19-34(25-35(37)53-41)63-24-22-55(13,14)51(9,10)11)40-47(32(7)44(39)58)67-52(12,49(40)60)64-23-21-36(62-15)31(6)46(65-33(8)56)30(5)28(3)29(4)43(26)57/h16-27,30,32-35,42,49,52,63H,28-29H2,1-15H3,(H-,59,60,64,65,66,67);15-24,26,28-29,31-34,39,47,50,62H,25,27H2,1-14H3,(H-,58,59,63,64,65,66);15-18,24,26-28,30-33,38,46,49,62H,19-23,25H2,1-14H3,(H2-,56,57,61,63,64,65,66);14-17,21,25-27,29-32,37,45,48,60H,18-20,22-24H2,1-13H3,(H2-,55,56,59,61,62,63,64);18-21,24-28,30-33,38,46,49,60H,15-17,22-23H2,1-14H3,(H2-,55,56,59,61,62,63,64);16-21,23,25-26,28-31,36,43,46,57H,22,24H2,1-15H3,(H-,53,54,58,59,60,61)/p+6/b19-18+,26-25+,31-20-;18-17+,26-23+,30-19-;16-15+,24-18+,29-17-;15-14+,21-17+,28-16-;19-18+,24-21+,29-20-;17-16+,23-21+,27-18-/t30-,32+,33-,34+,35+,42-,49-,52-,58-;29-,31+,32-,33+,34+,39-,47-,50-,56-,60?;28-,30+,31-,32+,33+,38-,46-,49-,55-;27-,29+,30-,31+,32+,37-,45-,48-,54-;28-,30+,31-,32+,33+,38-,46-,49-,54-;26-,28+,29-,30+,31+,36-,43-,46-,52-/m000000/s1
InChIKeyBWALRIAQVNCAEX-JJKOGUPBSA-T
XLogP49.74
TPSA1243.75 Ų
H-Bond Donors21
H-Bond Acceptors84
Rotatable Bonds42
Heavy Atoms425
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005875.08
LogP ≤ 549.74
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1084

Analyze 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate with MolForge

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Related Compounds

2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]ethyl-methyl-propan-2-yl-pyridin-2-ylazanium
CID 159798875
2-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-15,17,37-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-dimethylazanium;[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17,37-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-(1-methyl-1-propan-2-ylpiperidin-1-ium-4-yl)oxy-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate
CID 159111500
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-30-[2-(azepan-1-yl)ethoxy]-15,17,37-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate
CID 155330449
2-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-15,17,37-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-methyl-di(propan-2-yl)azanium
CID 170207443
2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-32-methylsulfonyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-dimethylazanium
CID 159147629
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17,37-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-2,6,23-trioxo-30-phenylmethoxy-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate
CID 154951053
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-30-[2-[2-[2-(aziridin-1-yl)ethoxy]ethylamino]ethoxy]-15,17,37-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate
CID 155330458
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17,37-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-2,6,23-trioxo-30-[5-(propan-2-ylamino)pentoxy]-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate
CID 158604373
[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-30-[(1-methylpiperidin-4-yl)methoxy]-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate
CID 159097577
[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-31-[2-(dimethylamino)ethoxy]-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate
CID 158415809
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17,37-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-(1-methyl-1-propan-2-ylpiperidin-1-ium-4-yl)oxy-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate
CID 153286084
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-30-[4-[3-[4-(4,4-diphosphorosobutoxy)phenyl]-3-oxopropyl]piperazin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
CID 136591681

Frequently Asked Questions

What is the IUPAC name of 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate?
The IUPAC name of 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate (CID 157479790) is 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate.
What is the SMILES notation for 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate?
The canonical SMILES for 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate is CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6cc(OCC[N+](C)(c7ccccn7)C(C)(C)C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6cc(OCc7ccccc7C[N+](C)(C)C(C)(C)C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(=O)c4c(O)c(c5oc6ccc(OCC[N+](C)(C)C(C)(C)C)cc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCCCCC[N+](C)(C)C(C)C)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCCN7CC[N+](C)(C(C)(C)C)CC7)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(OCC[N+]7(C(C)(C)C)CCOCC7)cc(=O)c6nc5c4c3=C2O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.
What is the InChIKey of 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate?
The InChIKey is BWALRIAQVNCAEX-JJKOGUPBSA-T. The full InChI is InChI=1S/C58H71N3O12.C56H68N4O12.C55H72N4O13.C54H69N3O14.C54H71N3O13.C52H67N3O12/c1-30-19-18-20-31(2)56(67)60-48-51(65)45-44(47-54(48)72-43-27-40(23-24-41(43)59-47)69-29-39-22-17-16-21-38(39)28-61(13,14)57(9,10)11)46-53(36(7)50(45)64)73-58(12,55(46)66)70-26-25-42(68-15)35(6)52(71-37(8)62)34(5)32(3)33(4)49(30)63;1-29-18-17-19-30(2)54(66)59-46-49(64)43-42(45-52(46)71-40-28-37(21-22-38(40)58-45)68-27-25-60(13,55(9,10)11)41-20-15-16-24-57-41)44-51(35(7)48(43)63)72-56(12,53(44)65)69-26-23-39(67-14)34(6)50(70-36(8)61)33(5)31(3)32(4)47(29)62;1-28-16-15-17-29(2)53(66)57-45-48(64)41-40(44-51(45)71-39-27-36(26-37(61)43(39)56-44)68-25-21-58-19-22-59(13,23-20-58)54(9,10)11)42-50(34(7)47(41)63)72-55(12,52(42)65)69-24-18-38(67-14)33(6)49(70-35(8)60)32(5)30(3)31(4)46(28)62;1-27-15-14-16-28(2)52(64)56-44-47(62)40-39(43-50(44)70-38-26-35(25-36(59)42(38)55-43)67-24-20-57(53(9,10)11)18-22-66-23-19-57)41-49(33(7)46(40)61)71-54(12,51(41)63)68-21-17-37(65-13)32(6)48(69-34(8)58)31(5)29(3)30(4)45(27)60;1-27(2)57(12,13)22-16-15-17-23-66-36-25-37(59)43-39(26-36)69-51-44(55-43)40-41-47(61)34(9)50-42(40)52(63)54(11,70-50)67-24-21-38(65-14)33(8)49(68-35(10)58)32(7)30(5)31(6)46(60)28(3)19-18-20-29(4)53(64)56-45(51)48(41)62;1-26-17-16-18-27(2)50(61)54-42-45(59)39-38(41-48(42)66-37-20-19-34(25-35(37)53-41)63-24-22-55(13,14)51(9,10)11)40-47(32(7)44(39)58)67-52(12,49(40)60)64-23-21-36(62-15)31(6)46(65-33(8)56)30(5)28(3)29(4)43(26)57/h16-27,30,32-35,42,49,52,63H,28-29H2,1-15H3,(H-,59,60,64,65,66,67);15-24,26,28-29,31-34,39,47,50,62H,25,27H2,1-14H3,(H-,58,59,63,64,65,66);15-18,24,26-28,30-33,38,46,49,62H,19-23,25H2,1-14H3,(H2-,56,57,61,63,64,65,66);14-17,21,25-27,29-32,37,45,48,60H,18-20,22-24H2,1-13H3,(H2-,55,56,59,61,62,63,64);18-21,24-28,30-33,38,46,49,60H,15-17,22-23H2,1-14H3,(H2-,55,56,59,61,62,63,64);16-21,23,25-26,28-31,36,43,46,57H,22,24H2,1-15H3,(H-,53,54,58,59,60,61)/p+6/b19-18+,26-25+,31-20-;18-17+,26-23+,30-19-;16-15+,24-18+,29-17-;15-14+,21-17+,28-16-;19-18+,24-21+,29-20-;17-16+,23-21+,27-18-/t30-,32+,33-,34+,35+,42-,49-,52-,58-;29-,31+,32-,33+,34+,39-,47-,50-,56-,60?;28-,30+,31-,32+,33+,38-,46-,49-,55-;27-,29+,30-,31+,32+,37-,45-,48-,54-;28-,30+,31-,32+,33+,38-,46-,49-,54-;26-,28+,29-,30+,31+,36-,43-,46-,52-/m000000/s1.
What are the key properties of 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate?
2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate has a molecular weight of 5875.08 g/mol, XLogP of 49.74, 42 rotatable bonds, 21 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-31-yl]oxy]ethyl-tert-butyl-dimethylazanium;2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxy]ethyl-tert-butyl-methyl-pyridin-2-ylazanium;[2-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-17,37-dihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-2,6,23-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(37),3,5(36),9,19,21,25,28(33),29,31,34-undecaen-30-yl]oxymethyl]phenyl]methyl-tert-butyl-dimethylazanium;5-[[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-13-acetyloxy-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-30-yl]oxy]pentyl-dimethyl-propan-2-ylazanium;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butyl-4-methylpiperazin-4-ium-1-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18S,19E,21Z)-30-[2-(4-tert-butylmorpholin-4-ium-4-yl)ethoxy]-2,6,17-trihydroxy-11-methoxy-3,7,12,14,15,16,18,22-octamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate is sourced from PubChem (CID 157479790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).