[7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium

C281H340ClN28O28Si3+9 — CID 159671927

IUPAC[7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
SMILESC/C1=C\CCC(C)OC(=O)CC(c2ccc(O)cc2)CC(=O)C(CC2=CCc3ccccc32)N(C)C(=O)C(CCCCCC(=O)CCCN(C)c2ccc3c(c2)[Si](C)(C)C2=CC(=[N+](C)C)C=CC2=C3)NC(=O)C(C)C1.CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=CC(OC(=O)C(O)C(CC(=O)CCCN(C)c4ccc5c(c4)[Si](C)(C)C4=CC(=[N+](C)C)C=CC4=C5)c4ccccc4)CC(O)(C3)C(OC(=O)c3ccccc3)C21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCCCN=[N+]=[N-])C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCCOCCOCCCCCCCl)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)O)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=CC(=[NH2+])C=CC2=Cc2ccc(N)cc21.CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2.C[Si]1(C)C2=CC(=[NH2+])C=CC2=Cc2ccc(N)cc21
InChIInChI=1S/C63H80N4O7Si.C58H67N2O13Si.C34H35N7O2.C31H43ClN2O3.C24H29N5O.C20H22N2O2.C20H25N2.C16H16N2.C15H16N2Si/c1-42-17-15-18-44(3)74-61(71)39-50(45-28-32-54(69)33-29-45)38-58(70)57(37-47-25-24-46-19-13-14-22-55(46)47)67(7)63(73)56(64-62(72)43(2)35-42)23-12-10-11-20-53(68)21-16-34-66(6)52-31-27-49-36-48-26-30-51(65(4)5)40-59(48)75(8,9)60(49)41-52;1-34(61)73-58-33-70-48(58)30-47(63)56(2)51(58)53(72-54(67)36-17-12-9-13-18-36)57(69)31-39(49(64)52(56)66)26-43(32-57)71-55(68)50(65)44(35-15-10-8-11-16-35)29-42(62)19-14-24-60(5)41-23-21-38-25-37-20-22-40(59(3)4)27-45(37)74(6,7)46(38)28-41;1-34(2)28-17-25(35)12-10-23(28)16-24-11-13-26(18-29(24)34)37-15-3-4-27(42)14-9-21-5-7-22(8-6-21)19-43-32-30-31(39-20-38-30)40-33(36)41-32;1-31(2)29-22-26(33)13-11-24(29)21-25-12-14-27(23-30(25)31)34-16-7-9-28(35)10-8-18-37-20-19-36-17-6-4-3-5-15-32;1-24(2)22-15-19(25)10-8-17(22)14-18-9-11-20(16-23(18)24)27-12-5-7-21(30)6-3-4-13-28-29-26;1-20(2)17-11-15(21)7-5-13(17)10-14-6-8-16(12-18(14)20)22-9-3-4-19(23)24;1-20(2)18-12-16(21(3)4)9-7-14(18)11-15-8-10-17(22(5)6)13-19(15)20;1-16(2)14-8-12(17)5-3-10(14)7-11-4-6-13(18)9-15(11)16;1-18(2)14-8-12(16)5-3-10(14)7-11-4-6-13(17)9-15(11)18/h13-14,17,19,22,25-33,36,40-41,43-44,50,56-57H,10-12,15-16,18,20-21,23-24,34-35,37-39H2,1-9H3,(H-,64,69,72);8-13,15-18,20-23,25-28,43-44,47-51,53,63-65,69H,14,19,24,29-33H2,1-7H3;5-8,10-13,16-18,20H,3-4,9,14-15,19,35H2,1-2H3,(H3,36,38,39,40,41);11-14,21-23H,3-10,15-20,33H2,1-2H3;8-11,14-16H,3-7,12-13,25H2,1-2H3;5-8,10-12H,3-4,9,21H2,1-2H3,(H,23,24);7-13H,1-6H3;3-9,17H,18H2,1-2H3;3-9,16H,17H2,1-2H3/q;+1;;;;;+1;;/p+7/b42-17+;;37-26+;34-27+;27-20+;22-16+;;;
InChIKeyMUCKAIURXLORRE-GOAURKHUSA-U
MW4677.69 g/mol
LogP35.45
Rot. Bonds69

About [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium

[7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium (PubChem CID 159671927) has the molecular formula C281H340ClN28O28Si3+9 and a molecular weight of 4677.69 g/mol. Its IUPAC name is [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
PubChem CID159671927
Molecular FormulaC281H340ClN28O28Si3+9
Molecular Weight4677.69 g/mol
Exact Mass4673.50
IUPAC Name[7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium
SMILESC/C1=C\CCC(C)OC(=O)CC(c2ccc(O)cc2)CC(=O)C(CC2=CCc3ccccc32)N(C)C(=O)C(CCCCCC(=O)CCCN(C)c2ccc3c(c2)[Si](C)(C)C2=CC(=[N+](C)C)C=CC2=C3)NC(=O)C(C)C1.CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=CC(OC(=O)C(O)C(CC(=O)CCCN(C)c4ccc5c(c4)[Si](C)(C)C4=CC(=[N+](C)C)C=CC4=C5)c4ccccc4)CC(O)(C3)C(OC(=O)c3ccccc3)C21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCCCN=[N+]=[N-])C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCCOCCOCCCCCCCl)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)O)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=CC(=[NH2+])C=CC2=Cc2ccc(N)cc21.CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2.C[Si]1(C)C2=CC(=[NH2+])C=CC2=Cc2ccc(N)cc21
InChIInChI=1S/C63H80N4O7Si.C58H67N2O13Si.C34H35N7O2.C31H43ClN2O3.C24H29N5O.C20H22N2O2.C20H25N2.C16H16N2.C15H16N2Si/c1-42-17-15-18-44(3)74-61(71)39-50(45-28-32-54(69)33-29-45)38-58(70)57(37-47-25-24-46-19-13-14-22-55(46)47)67(7)63(73)56(64-62(72)43(2)35-42)23-12-10-11-20-53(68)21-16-34-66(6)52-31-27-49-36-48-26-30-51(65(4)5)40-59(48)75(8,9)60(49)41-52;1-34(61)73-58-33-70-48(58)30-47(63)56(2)51(58)53(72-54(67)36-17-12-9-13-18-36)57(69)31-39(49(64)52(56)66)26-43(32-57)71-55(68)50(65)44(35-15-10-8-11-16-35)29-42(62)19-14-24-60(5)41-23-21-38-25-37-20-22-40(59(3)4)27-45(37)74(6,7)46(38)28-41;1-34(2)28-17-25(35)12-10-23(28)16-24-11-13-26(18-29(24)34)37-15-3-4-27(42)14-9-21-5-7-22(8-6-21)19-43-32-30-31(39-20-38-30)40-33(36)41-32;1-31(2)29-22-26(33)13-11-24(29)21-25-12-14-27(23-30(25)31)34-16-7-9-28(35)10-8-18-37-20-19-36-17-6-4-3-5-15-32;1-24(2)22-15-19(25)10-8-17(22)14-18-9-11-20(16-23(18)24)27-12-5-7-21(30)6-3-4-13-28-29-26;1-20(2)17-11-15(21)7-5-13(17)10-14-6-8-16(12-18(14)20)22-9-3-4-19(23)24;1-20(2)18-12-16(21(3)4)9-7-14(18)11-15-8-10-17(22(5)6)13-19(15)20;1-16(2)14-8-12(17)5-3-10(14)7-11-4-6-13(18)9-15(11)16;1-18(2)14-8-12(16)5-3-10(14)7-11-4-6-13(17)9-15(11)18/h13-14,17,19,22,25-33,36,40-41,43-44,50,56-57H,10-12,15-16,18,20-21,23-24,34-35,37-39H2,1-9H3,(H-,64,69,72);8-13,15-18,20-23,25-28,43-44,47-51,53,63-65,69H,14,19,24,29-33H2,1-7H3;5-8,10-13,16-18,20H,3-4,9,14-15,19,35H2,1-2H3,(H3,36,38,39,40,41);11-14,21-23H,3-10,15-20,33H2,1-2H3;8-11,14-16H,3-7,12-13,25H2,1-2H3;5-8,10-12H,3-4,9,21H2,1-2H3,(H,23,24);7-13H,1-6H3;3-9,17H,18H2,1-2H3;3-9,16H,17H2,1-2H3/q;+1;;;;;+1;;/p+7/b42-17+;;37-26+;34-27+;27-20+;22-16+;;;
InChIKeyMUCKAIURXLORRE-GOAURKHUSA-U
XLogP35.45
TPSA860.64 Ų
H-Bond Donors21
H-Bond Acceptors41
Rotatable Bonds69
Heavy Atoms341
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004677.69
LogP ≤ 535.45
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1041

Analyze [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-[8-[[3',6'-bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl]amino]octanoylamino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 139208891
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-[2-[(2R)-3-amino-2-[3-[2-[2-[2-[2-[2-[2-[[2-[2-[14-(3-carbamimidamidopropyl)-20-[(4-hydroxyphenyl)methyl]-11-(naphthalen-2-ylmethyl)-7,10,13,16,19,22-hexaoxo-23-(2-oxopropyl)-17-[4-(propan-2-ylamino)butyl]-3,25-dithia-6,9,15,21-tetrazabicyclo[25.4.0]hentriaconta-1(31),27,29-trien-5-yl]-2-oxoethyl]-6-(propan-2-ylamino)hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxopropyl]sulfanylacetyl]oxy-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 158439167
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-[2-[[3-[[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]disulfanyl]ethoxycarbonyloxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,3R,4S,7R,9S,10S,12R)-4-acetyloxy-15-[(3S)-2-[2-[[3-[[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]disulfanyl]ethyl-butylcarbamoyl]oxy-3-phenylbutanoyl]oxy-1-hydroxy-9-methoxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 5-[[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoate
CID 158876639
[(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-15-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenyl-3-trioctoxysilyloxybutyl]-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 90670077
[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-(chloromethyl) butanedioate;4-O-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl] 1-O-[5-(dithiolan-3-yl)pentanoyloxymethyl] butanedioate;4-[(2R,3S)-1-[[(1S,2S,3R,4S,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-benzamido-1-oxo-3-phenylpropan-2-yl]oxy-4-oxobutanoic acid;chloro(chlorosulfonyloxy)methane;5-(dithiolan-3-yl)pentanoic acid;oxolane-2,5-dione
CID 159960698
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-[2-[[3-[[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]disulfanyl]ethoxycarbonyloxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[2-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 5-[[(2R)-1-[[(4R,7S,10S,13R,16R,19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(3H-inden-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoate
CID 159174923
6-[3-[2-[3',6'-bis(dimethylamino)-10'-methyl-3-oxospiro[2-benzofuran-1,9'-thioxanthene]-10'-yl]ethylsulfanyl]propanoylamino]-N-[4-[(4R,7R,10S,13S,15E,19S)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]hexanamide
CID 146369913
4-[(2S,3R)-1-[[(1R,2R,3S,9R,10R,12S,15R)-4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxo-3-phenylpentan-2-yl]oxy-4-oxobutanoic acid
CID 160908690
1-O-[(1R,2S,3S,9R,10R,12S,15R)-4-acetyloxy-2-benzoyloxy-9,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 5-O-tert-butyl (2S,3R)-2-hydroxy-3-phenylpentanedioate
CID 157366122
2-[[3-[[[6-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyl]-5',5'-dimethyl-3'-[methyl-[[2-nitro-5-(2-sulfoethylcarbamoyl)phenyl]methoxycarbonyl]amino]-3-oxospiro[2-benzofuran-1,10'-benzo[b][1]benzosiline]-7'-yl]-methylcarbamoyl]oxymethyl]-4-nitrobenzoyl]amino]ethanesulfonic acid;2-[[3-[[[6-[6-[6-(azidomethyl)-3-pyridinyl]-5-oxohexanoyl]-5',5'-dimethyl-7'-[methyl-[[2-nitro-5-(propylcarbamoyl)phenyl]methoxycarbonyl]amino]-3-oxospiro[2-benzofuran-1,10'-benzo[b][1]benzosiline]-3'-yl]-methylcarbamoyl]oxymethyl]-4-nitrobenzoyl]amino]ethanesulfonic acid;2-[[3-[[[6-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethyl-3'-[methyl-[[2-nitro-5-(2-sulfoethylcarbamoyl)phenyl]methoxycarbonyl]amino]-3-oxospiro[2-benzofuran-1,10'-benzo[b][1]benzosiline]-7'-yl]-methylcarbamoyl]oxymethyl]-4-nitrobenzoyl]amino]ethanesulfonic acid;2-[[3-[[6-[4-[2-(6-chlorohexoxy)ethoxy]butanoyl]-5',5'-dimethyl-3'-[[2-nitro-5-(2-sulfoethylcarbamoyl)phenyl]methoxycarbonylamino]-3-oxospiro[2-benzofuran-1,10'-benzo[b][1]benzosiline]-7'-yl]carbamoyloxymethyl]-4-nitrobenzoyl]amino]ethanesulfonic acid;2-[[3-[[[6-[4-(2,5-dioxopyrrol-1-yl)butanoyl]-5',5'-dimethyl-3'-[methyl-[[2-nitro-5-(2-sulfoethylcarbamoyl)phenyl]methoxycarbonyl]amino]-3-oxospiro[2-benzofuran-1,10'-benzo[b][1]benzosiline]-7'-yl]-methylcarbamoyl]oxymethyl]-4-nitrobenzoyl]amino]ethanesulfonic acid
CID 163955247
[(1R,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-2-[2-[2-(3-aminooxyperoxysulfanylpropoxy)ethoxy]acetyl]oxy-3-phenylbutanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 140577252
[(1R,4S)-4-acetyloxy-15-[2-[2-[2-(3-aminooxyperoxysulfanylpropoxy)ethoxy]acetyl]oxy-3-phenylbutanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 176534549

Frequently Asked Questions

What is the IUPAC name of [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium?
The IUPAC name of [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium (CID 159671927) is [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium.
What is the SMILES notation for [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium?
The canonical SMILES for [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium is C/C1=C\CCC(C)OC(=O)CC(c2ccc(O)cc2)CC(=O)C(CC2=CCc3ccccc32)N(C)C(=O)C(CCCCCC(=O)CCCN(C)c2ccc3c(c2)[Si](C)(C)C2=CC(=[N+](C)C)C=CC2=C3)NC(=O)C(C)C1.CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=CC(OC(=O)C(O)C(CC(=O)CCCN(C)c4ccc5c(c4)[Si](C)(C)C4=CC(=[N+](C)C)C=CC4=C5)c4ccccc4)CC(O)(C3)C(OC(=O)c3ccccc3)C21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCCCN=[N+]=[N-])C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCCOCCOCCCCCCCl)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)CCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=C/C(=[NH+]/CCCC(=O)O)C=CC2=Cc2ccc(N)cc21.CC1(C)C2=CC(=[NH2+])C=CC2=Cc2ccc(N)cc21.CN(C)c1ccc2c(c1)C(C)(C)C1=CC(=[N+](C)C)C=CC1=C2.C[Si]1(C)C2=CC(=[NH2+])C=CC2=Cc2ccc(N)cc21.
What is the InChIKey of [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium?
The InChIKey is MUCKAIURXLORRE-GOAURKHUSA-U. The full InChI is InChI=1S/C63H80N4O7Si.C58H67N2O13Si.C34H35N7O2.C31H43ClN2O3.C24H29N5O.C20H22N2O2.C20H25N2.C16H16N2.C15H16N2Si/c1-42-17-15-18-44(3)74-61(71)39-50(45-28-32-54(69)33-29-45)38-58(70)57(37-47-25-24-46-19-13-14-22-55(46)47)67(7)63(73)56(64-62(72)43(2)35-42)23-12-10-11-20-53(68)21-16-34-66(6)52-31-27-49-36-48-26-30-51(65(4)5)40-59(48)75(8,9)60(49)41-52;1-34(61)73-58-33-70-48(58)30-47(63)56(2)51(58)53(72-54(67)36-17-12-9-13-18-36)57(69)31-39(49(64)52(56)66)26-43(32-57)71-55(68)50(65)44(35-15-10-8-11-16-35)29-42(62)19-14-24-60(5)41-23-21-38-25-37-20-22-40(59(3)4)27-45(37)74(6,7)46(38)28-41;1-34(2)28-17-25(35)12-10-23(28)16-24-11-13-26(18-29(24)34)37-15-3-4-27(42)14-9-21-5-7-22(8-6-21)19-43-32-30-31(39-20-38-30)40-33(36)41-32;1-31(2)29-22-26(33)13-11-24(29)21-25-12-14-27(23-30(25)31)34-16-7-9-28(35)10-8-18-37-20-19-36-17-6-4-3-5-15-32;1-24(2)22-15-19(25)10-8-17(22)14-18-9-11-20(16-23(18)24)27-12-5-7-21(30)6-3-4-13-28-29-26;1-20(2)17-11-15(21)7-5-13(17)10-14-6-8-16(12-18(14)20)22-9-3-4-19(23)24;1-20(2)18-12-16(21(3)4)9-7-14(18)11-15-8-10-17(22(5)6)13-19(15)20;1-16(2)14-8-12(17)5-3-10(14)7-11-4-6-13(18)9-15(11)16;1-18(2)14-8-12(16)5-3-10(14)7-11-4-6-13(17)9-15(11)18/h13-14,17,19,22,25-33,36,40-41,43-44,50,56-57H,10-12,15-16,18,20-21,23-24,34-35,37-39H2,1-9H3,(H-,64,69,72);8-13,15-18,20-23,25-28,43-44,47-51,53,63-65,69H,14,19,24,29-33H2,1-7H3;5-8,10-13,16-18,20H,3-4,9,14-15,19,35H2,1-2H3,(H3,36,38,39,40,41);11-14,21-23H,3-10,15-20,33H2,1-2H3;8-11,14-16H,3-7,12-13,25H2,1-2H3;5-8,10-12H,3-4,9,21H2,1-2H3,(H,23,24);7-13H,1-6H3;3-9,17H,18H2,1-2H3;3-9,16H,17H2,1-2H3/q;+1;;;;;+1;;/p+7/b42-17+;;37-26+;34-27+;27-20+;22-16+;;;.
What are the key properties of [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium?
[7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium has a molecular weight of 4677.69 g/mol, XLogP of 35.45, 69 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[8-[(4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10-methyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl)oxy]-7-hydroxy-4,8-dioxo-6-phenyloctyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[6-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-4-oxohexyl]azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(8-azido-4-oxooctyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-(3-carboxypropyl)azanium;(7-amino-9,9-dimethylanthracen-2-ylidene)-[7-[2-(6-chlorohexoxy)ethoxy]-4-oxoheptyl]azanium;(7-amino-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene)azanium;[7-(dimethylamino)-9,9-dimethylanthracen-2-ylidene]-dimethylazanium;[7-[[9-[(15E)-4-(4-hydroxyphenyl)-7-(3H-inden-1-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetraoxo-1-oxa-8,11-diazacyclononadec-15-en-10-yl]-4-oxononyl]-methylamino]-5,5-dimethylbenzo[b][1]benzosilin-3-ylidene]-dimethylazanium is sourced from PubChem (CID 159671927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).