tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid

C153H237F3N8O53S — CID 157372616

About tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid

tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid (PubChem CID 157372616) has the molecular formula C153H237F3N8O53S and a molecular weight of 3125.64 g/mol. Its IUPAC name is tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid.

Molecular Properties

• Compound Name: tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid
• PubChem CID: 157372616
• Molecular Formula: C153H237F3N8O53S
• Molecular Weight: 3125.64 g/mol
• Exact Mass: 3123.58
• IUPAC Name: tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid
• SMILES: CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O.COCCOCCOCCN.COCCOCCOCCN(CCN(C(=O)OC(C)(C)C)c1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O)C(=O)OC(C)(C)C.COCCOCCOCCN(CCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2)C(=O)OC(C)(C)C.COCCOCCOCCN(CCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2)C(=O)OC(C)(C)C.O=S(=O)(O)C(F)(F)F
• InChI: InChI=1S/C43H68N2O14.C43H66N2O14.C38H58N2O13.C21H27NO6.C7H17NO3.CHF3O3S/c2*1-29-16-17-33(46)37-34(56-43(9,10)57-37)15-13-14-31-26-32(27-35(54-28-51-12)36(31)38(47)55-30(29)2)45(40(49)59-42(6,7)8)19-18-44(39(48)58-41(3,4)5)20-21-52-24-25-53-23-22-50-11;1-25-13-14-30(42)33(44)29(41)12-10-11-27-23-28(24-31(43)32(27)34(45)51-26(25)2)40(36(47)53-38(6,7)8)16-15-39(35(46)52-37(3,4)5)17-18-49-21-22-50-20-19-48-9;1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15;1-9-4-5-11-7-6-10-3-2-8;2-1(3,4)8(5,6)7/h13-14,16-17,26-27,29-30,33-34,37,46H,15,18-25,28H2,1-12H3;13-14,16-17,26-27,29-30,34,37H,15,18-25,28H2,1-12H3;10-11,13-14,23-26,29,33,41,43-44H,12,15-22H2,1-9H3;5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3;2-8H2,1H3;(H,5,6,7)/b2*14-13+,17-16-;11-10+,14-13-;6-5+,9-8-;;/t29-,30+,33-,34+,37-;29-,30+,34+,37-;25-,26+,29+,33+;12-,13+,16+,20+;;/m1111../s1
• InChIKey: BJYCUCBGUOQPCZ-JRRPMTSJSA-N
• XLogP: 19.72
• TPSA: 752.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 54
• Rotatable Bonds: 55
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3125.64
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid?

The IUPAC name of tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid (CID 157372616) is tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid.

What is the SMILES notation for tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid?

The canonical SMILES for tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid is CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O.COCCOCCOCCN.COCCOCCOCCN(CCN(C(=O)OC(C)(C)C)c1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O)C(=O)OC(C)(C)C.COCCOCCOCCN(CCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2)C(=O)OC(C)(C)C.COCCOCCOCCN(CCN(C(=O)OC(C)(C)C)c1cc2c(c(OCOC)c1)C(=O)O[C@@H](C)[C@H](C)/C=C\[C@@H](O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2)C(=O)OC(C)(C)C.O=S(=O)(O)C(F)(F)F.

What is the InChIKey of tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid?

The InChIKey is BJYCUCBGUOQPCZ-JRRPMTSJSA-N. The full InChI is InChI=1S/C43H68N2O14.C43H66N2O14.C38H58N2O13.C21H27NO6.C7H17NO3.CHF3O3S/c2*1-29-16-17-33(46)37-34(56-43(9,10)57-37)15-13-14-31-26-32(27-35(54-28-51-12)36(31)38(47)55-30(29)2)45(40(49)59-42(6,7)8)19-18-44(39(48)58-41(3,4)5)20-21-52-24-25-53-23-22-50-11;1-25-13-14-30(42)33(44)29(41)12-10-11-27-23-28(24-31(43)32(27)34(45)51-26(25)2)40(36(47)53-38(6,7)8)16-15-39(35(46)52-37(3,4)5)17-18-49-21-22-50-20-19-48-9;1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15;1-9-4-5-11-7-6-10-3-2-8;2-1(3,4)8(5,6)7/h13-14,16-17,26-27,29-30,33-34,37,46H,15,18-25,28H2,1-12H3;13-14,16-17,26-27,29-30,34,37H,15,18-25,28H2,1-12H3;10-11,13-14,23-26,29,33,41,43-44H,12,15-22H2,1-9H3;5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3;2-8H2,1H3;(H,5,6,7)/b2*14-13+,17-16-;11-10+,14-13-;6-5+,9-8-;;/t29-,30+,33-,34+,37-;29-,30+,34+,37-;25-,26+,29+,33+;12-,13+,16+,20+;;/m1111../s1.

What are the key properties of tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid?

tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid has a molecular weight of 3125.64 g/mol, XLogP of 19.72, 55 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2E,5S,9R,10R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[[(2E,5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate;tert-butyl N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]amino]ethyl]carbamate;(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;2-[2-(2-methoxyethoxy)ethoxy]ethanamine;trifluoromethanesulfonic acid is sourced from PubChem (CID 157372616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).