S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane

C134H194I2N8O49S4Si2 — CID 158177432

About S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane

S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane (PubChem CID 158177432) has the molecular formula C134H194I2N8O49S4Si2 and a molecular weight of 3139.28 g/mol. Its IUPAC name is S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane.

Molecular Properties

• Compound Name: S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane
• PubChem CID: 158177432
• Molecular Formula: C134H194I2N8O49S4Si2
• Molecular Weight: 3139.28 g/mol
• Exact Mass: 3136.94
• IUPAC Name: S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane
• SMILES: CC.CC.CCN(C(C)=O)C1COC(OC2C(O[C@H]3C#C/C=C\C#CC45C(NC(=O)OC)C(=O)CC4(O)/C(=C/CSC4CC(=O)N(CCC[Si](C)(C)O)C4=O)C35)OC(C)C(NOC3CC(O)C(SC(=O)c4c(C)c(I)c(OC5OC(C)C(O)C(OC)C5O)c(OC)c4OC)C(C)O3)C2O)CC1OC.CCN(C(C)=O)C1COC(OC2C(O[C@H]3C#C/C=C\C#CC45C(NC(=O)OC)C(=O)CC4(O)/C(=C/CSCC(=O)NCCC[Si](C)(C)O)C35)OC(C)C(NOC3CC(O)C(SC(=O)c4c(C)c(I)c(OC5OC(C)C(O)C(OC)C5O)c(OC)c4OC)C(C)O3)C2O)CC1OC
• InChI: InChI=1S/C66H91IN4O25S2Si.C64H91IN4O24S2Si.2C2H6/c1-14-70(35(6)72)37-30-89-44(27-41(37)84-7)94-56-51(77)49(69-96-45-26-38(73)58(34(5)90-45)98-61(80)46-31(2)48(67)54(57(87-10)53(46)85-8)95-62-52(78)55(86-9)50(76)33(4)92-62)32(3)91-63(56)93-40-20-17-15-16-18-22-65-47(40)36(66(65,82)29-39(74)59(65)68-64(81)88-11)21-24-97-42-28-43(75)71(60(42)79)23-19-25-99(12,13)83;1-14-69(35(6)70)37-29-86-43(27-41(37)81-7)91-55-50(75)48(68-93-44-26-38(71)57(34(5)87-44)95-59(77)45-31(2)47(65)53(56(84-10)52(45)82-8)92-60-51(76)54(83-9)49(74)33(4)89-60)32(3)88-61(55)90-40-20-17-15-16-18-22-63-46(40)36(64(63,79)28-39(72)58(63)67-62(78)85-11)21-24-94-30-42(73)66-23-19-25-96(12,13)80;2*1-2/h15-16,21,32-34,37-38,40-42,44-45,47,49-52,55-56,58-59,62-63,69,73,76-78,82-83H,14,19,23-30H2,1-13H3,(H,68,81);15-16,21,32-34,37-38,40-41,43-44,46,48-51,54-55,57-58,60-61,68,71,74-76,79-80H,14,19,23-30H2,1-13H3,(H,66,73)(H,67,78);2*1-2H3/b2*16-15-,36-21+;;/t32?,33?,34?,37?,38?,40-,41?,42?,44?,45?,47?,49?,50?,51?,52?,55?,56?,58?,59?,62?,63?,65?,66?;32?,33?,34?,37?,38?,40-,41?,43?,44?,46?,48?,49?,50?,51?,54?,55?,57?,58?,60?,61?,63?,64?;;/m00../s1
• InChIKey: FYDZQVZXCJBJLZ-HWEBDCRBSA-N
• XLogP: 5.99
• TPSA: 740.38 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 55
• Rotatable Bonds: 51
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3139.28
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane?

The IUPAC name of S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane (CID 158177432) is S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane.

What is the SMILES notation for S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane?

The canonical SMILES for S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane is CC.CC.CCN(C(C)=O)C1COC(OC2C(O[C@H]3C#C/C=C\C#CC45C(NC(=O)OC)C(=O)CC4(O)/C(=C/CSC4CC(=O)N(CCC[Si](C)(C)O)C4=O)C35)OC(C)C(NOC3CC(O)C(SC(=O)c4c(C)c(I)c(OC5OC(C)C(O)C(OC)C5O)c(OC)c4OC)C(C)O3)C2O)CC1OC.CCN(C(C)=O)C1COC(OC2C(O[C@H]3C#C/C=C\C#CC45C(NC(=O)OC)C(=O)CC4(O)/C(=C/CSCC(=O)NCCC[Si](C)(C)O)C35)OC(C)C(NOC3CC(O)C(SC(=O)c4c(C)c(I)c(OC5OC(C)C(O)C(OC)C5O)c(OC)c4OC)C(C)O3)C2O)CC1OC.

What is the InChIKey of S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane?

The InChIKey is FYDZQVZXCJBJLZ-HWEBDCRBSA-N. The full InChI is InChI=1S/C66H91IN4O25S2Si.C64H91IN4O24S2Si.2C2H6/c1-14-70(35(6)72)37-30-89-44(27-41(37)84-7)94-56-51(77)49(69-96-45-26-38(73)58(34(5)90-45)98-61(80)46-31(2)48(67)54(57(87-10)53(46)85-8)95-62-52(78)55(86-9)50(76)33(4)92-62)32(3)91-63(56)93-40-20-17-15-16-18-22-65-47(40)36(66(65,82)29-39(74)59(65)68-64(81)88-11)21-24-97-42-28-43(75)71(60(42)79)23-19-25-99(12,13)83;1-14-69(35(6)70)37-29-86-43(27-41(37)81-7)91-55-50(75)48(68-93-44-26-38(71)57(34(5)87-44)95-59(77)45-31(2)47(65)53(56(84-10)52(45)82-8)92-60-51(76)54(83-9)49(74)33(4)89-60)32(3)88-61(55)90-40-20-17-15-16-18-22-63-46(40)36(64(63,79)28-39(72)58(63)67-62(78)85-11)21-24-94-30-42(73)66-23-19-25-96(12,13)80;2*1-2/h15-16,21,32-34,37-38,40-42,44-45,47,49-52,55-56,58-59,62-63,69,73,76-78,82-83H,14,19,23-30H2,1-13H3,(H,68,81);15-16,21,32-34,37-38,40-41,43-44,46,48-51,54-55,57-58,60-61,68,71,74-76,79-80H,14,19,23-30H2,1-13H3,(H,66,73)(H,67,78);2*1-2H3/b2*16-15-,36-21+;;/t32?,33?,34?,37?,38?,40-,41?,42?,44?,45?,47?,49?,50?,51?,52?,55?,56?,58?,59?,62?,63?,65?,66?;32?,33?,34?,37?,38?,40-,41?,43?,44?,46?,48?,49?,50?,51?,54?,55?,57?,58?,60?,61?,63?,64?;;/m00../s1.

What are the key properties of S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane?

S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane has a molecular weight of 3139.28 g/mol, XLogP of 5.99, 51 rotatable bonds, 17 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[2-[3-[hydroxy(dimethyl)silyl]propylamino]-2-oxoethyl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;S-[6-[[5-[5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(4Z,8R,10E)-11-hydroxy-10-[2-[1-[3-[hydroxy(dimethyl)silyl]propyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethylidene]-14-(methoxycarbonylamino)-13-oxo-8-tricyclo[7.5.0.01,11]tetradec-4-en-2,6-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate;ethane is sourced from PubChem (CID 158177432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).