[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one)

C214H342N12O54S3 — CID 159081514

About [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one)

[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one) (PubChem CID 159081514) has the molecular formula C214H342N12O54S3 and a molecular weight of 4043.32 g/mol. Its IUPAC name is [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one).

Molecular Properties

• Compound Name: [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one)
• PubChem CID: 159081514
• Molecular Formula: C214H342N12O54S3
• Molecular Weight: 4043.32 g/mol
• Exact Mass: 4040.35
• IUPAC Name: [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one)
• SMILES: C/C=C/C=C(\C)C(C)=O.C/C=C/C=C(\C)C(C)=O.C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(=O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(N)C(C)C.C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(=O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(N)c1ccc(O)cc1.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)C1OC1CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N)NC1CCCC1
• InChI: InChI=1S/C69H112N4O17S.C66H102N4O18S.C63H104N4O17S.2C8H12O/c1-48(52(5)74)29-20-16-12-11-13-17-21-30-49(2)67(85)51(4)63(83)38-22-18-14-9-7-6-8-10-15-19-23-39-65(90-91(86,87)88)50(3)62(73-53-31-24-25-32-53)45-59(80)42-55(76)34-27-35-56(77)43-60(81)46-64(84)68-66(89-68)47-61(82)44-57(78)36-26-33-54(75)41-58(79)37-28-40-72-69(70)71;1-5-6-7-15-18-25-46(2)64(83)48(4)60(81)33-19-16-13-11-9-8-10-12-14-17-20-34-62(88-89(85,86)87)47(3)61(82)45-59(80)44-56(77)31-23-30-55(76)43-58(79)42-54(75)29-22-28-52(73)40-51(72)26-21-27-53(74)41-57(78)32-24-39-69-66(68)70-65(84)63(67)49-35-37-50(71)38-36-49;1-7-8-9-17-20-27-45(4)61(79)47(6)57(77)35-21-18-15-13-11-10-12-14-16-19-22-36-59(84-85(81,82)83)46(5)58(78)43-56(76)42-53(73)33-25-32-52(72)41-55(75)40-51(71)31-24-30-49(69)38-48(68)28-23-29-50(70)39-54(74)34-26-37-66-63(65)67-62(80)60(64)44(2)3;2*1-4-5-6-7(2)8(3)9/h6-12,14-16,18-23,26-27,29-30,34,36,38,49-51,53-68,73,75-85H,13,17,24-25,28,31-33,35,37,39-47H2,1-5H3,(H4,70,71,72)(H,86,87,88);5-6,8-14,16-23,25-26,29,31,33,35-38,46-48,51-60,62-64,71-81,83H,7,15,24,27-28,30,32,34,39-45,67H2,1-4H3,(H,85,86,87)(H3,68,69,70,84);7-8,10-16,18-25,27-28,31,33,35,44-57,59-61,68-77,79H,9,17,26,29-30,32,34,36-43,64H2,1-6H3,(H,81,82,83)(H3,65,66,67,80);2*4-6H,1-3H3/b8-6+,9-7+,12-11+,15-10+,18-14+,20-16+,23-19+,30-21+,34-27+,36-26+,38-22+,48-29+;6-5+,10-8+,11-9+,14-12+,16-13+,20-17+,25-18+,26-21+,29-22+,31-23+,33-19+;8-7+,12-10+,13-11+,16-14+,18-15+,22-19+,27-20+,28-23+,31-24+,33-25+,35-21+;2*5-4+,7-6+
• InChIKey: KAXMMJUDDNVNHE-PNOLLZPHSA-N
• XLogP: 20.00
• TPSA: 1239.93 Ų
• H-Bond Donors: 46
• H-Bond Acceptors: 57
• Rotatable Bonds: 145
• Heavy Atoms: 283
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4043.32
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	46
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one)?

The IUPAC name of [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one) (CID 159081514) is [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one).

What is the SMILES notation for [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one)?

The canonical SMILES for [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one) is C/C=C/C=C(\C)C(C)=O.C/C=C/C=C(\C)C(C)=O.C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(=O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(N)C(C)C.C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(=O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(N)c1ccc(O)cc1.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)C1OC1CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N)NC1CCCC1.

What is the InChIKey of [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one)?

The InChIKey is KAXMMJUDDNVNHE-PNOLLZPHSA-N. The full InChI is InChI=1S/C69H112N4O17S.C66H102N4O18S.C63H104N4O17S.2C8H12O/c1-48(52(5)74)29-20-16-12-11-13-17-21-30-49(2)67(85)51(4)63(83)38-22-18-14-9-7-6-8-10-15-19-23-39-65(90-91(86,87)88)50(3)62(73-53-31-24-25-32-53)45-59(80)42-55(76)34-27-35-56(77)43-60(81)46-64(84)68-66(89-68)47-61(82)44-57(78)36-26-33-54(75)41-58(79)37-28-40-72-69(70)71;1-5-6-7-15-18-25-46(2)64(83)48(4)60(81)33-19-16-13-11-9-8-10-12-14-17-20-34-62(88-89(85,86)87)47(3)61(82)45-59(80)44-56(77)31-23-30-55(76)43-58(79)42-54(75)29-22-28-52(73)40-51(72)26-21-27-53(74)41-57(78)32-24-39-69-66(68)70-65(84)63(67)49-35-37-50(71)38-36-49;1-7-8-9-17-20-27-45(4)61(79)47(6)57(77)35-21-18-15-13-11-10-12-14-16-19-22-36-59(84-85(81,82)83)46(5)58(78)43-56(76)42-53(73)33-25-32-52(72)41-55(75)40-51(71)31-24-30-49(69)38-48(68)28-23-29-50(70)39-54(74)34-26-37-66-63(65)67-62(80)60(64)44(2)3;2*1-4-5-6-7(2)8(3)9/h6-12,14-16,18-23,26-27,29-30,34,36,38,49-51,53-68,73,75-85H,13,17,24-25,28,31-33,35,37,39-47H2,1-5H3,(H4,70,71,72)(H,86,87,88);5-6,8-14,16-23,25-26,29,31,33,35-38,46-48,51-60,62-64,71-81,83H,7,15,24,27-28,30,32,34,39-45,67H2,1-4H3,(H,85,86,87)(H3,68,69,70,84);7-8,10-16,18-25,27-28,31,33,35,44-57,59-61,68-77,79H,9,17,26,29-30,32,34,36-43,64H2,1-6H3,(H,81,82,83)(H3,65,66,67,80);2*4-6H,1-3H3/b8-6+,9-7+,12-11+,15-10+,18-14+,20-16+,23-19+,30-21+,34-27+,36-26+,38-22+,48-29+;6-5+,10-8+,11-9+,14-12+,16-13+,20-17+,25-18+,26-21+,29-22+,31-23+,33-19+;8-7+,12-10+,13-11+,16-14+,18-15+,22-19+,27-20+,28-23+,31-24+,33-25+,35-21+;2*5-4+,7-6+.

What are the key properties of [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one)?

[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one) has a molecular weight of 4043.32 g/mol, XLogP of 20.00, 145 rotatable bonds, 46 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(2E,6E,12E,14E,16E,18E,20E,22E,32E,40E,46E)-54-[[amino-[(2-amino-3-methylbutanoyl)amino]methylidene]amino]-9,11,29,31,35,37,39,43,45,49,51-undecahydroxy-8,10,26-trimethyl-27-oxotetrapentaconta-2,6,12,14,16,18,20,22,32,40,46-undecaen-25-yl] hydrogen sulfate;[(7E,17E,19E,21E,23E,25E,27E,33E,37E,39E,41E)-13-(cyclopentylamino)-1-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-1,3,5,9,11,29,31-heptahydroxy-14,30,32,42-tetramethyl-43-oxotetratetraconta-7,17,19,21,23,25,27,33,37,39,41-undecaen-15-yl] hydrogen sulfate;bis((3E,5E)-3-methylhepta-3,5-dien-2-one) is sourced from PubChem (CID 159081514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).