[(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate

C126H194N4O51S4 — CID 158447457

About [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate

[(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate (PubChem CID 158447457) has the molecular formula C126H194N4O51S4 and a molecular weight of 2709.18 g/mol. Its IUPAC name is [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate.

Molecular Properties

• Compound Name: [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate
• PubChem CID: 158447457
• Molecular Formula: C126H194N4O51S4
• Molecular Weight: 2709.18 g/mol
• Exact Mass: 2707.16
• IUPAC Name: [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate
• SMILES: CCc1nc(/C=C(\C)[C@H]2C/C=C(/C)C/C=C\[C@@H](C)[C@@H](O)[C@H](C)C(=O)C(C)(C)[C@H](OC(=O)CCCCCNC(=O)C(CC)CSC3O[C@H]4O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(CO)O[C@@H](O[C@@H]8C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCCCCC(=O)O[C@H]9CC(=O)O[C@H](/C(C)=C/c%10csc(C)n%10)C/C=C(/C)C/C=C\[C@H](C)[C@H](O)[C@@H](C)C(=O)C9(C)C)O[C@H](O[C@@H]9C(CO)O[C@@H](O[C@@H]%10C(CO)O[C@@H](O[C@H]3[C@H](O)C4O)C(O)[C@H]%10O)C(O)[C@H]9O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)CC(=O)O2)cs1
• InChI: InChI=1S/C126H194N4O51S4/c1-17-70(115(160)127-39-23-19-21-31-86(138)173-84-49-89(141)165-76(65(8)46-73-58-184-85(18-2)130-73)36-34-61(4)28-26-30-63(6)91(143)68(11)114(159)126(84,15)16)56-185-124-112-98(150)105(157)123(181-124)178-110-81(54-135)168-119(101(153)95(110)147)174-106-77(50-131)166-117(99(151)92(106)144)175-107-78(51-132)169-120(102(154)94(107)146)179-111-82(171-122(104(156)97(111)149)177-109-79(52-133)167-118(100(152)93(109)145)176-108-80(53-134)170-121(180-112)103(155)96(108)148)59-182-55-71(47-74(137)38-42-163-44-43-162-41-37-66(9)136)116(161)128-40-24-20-22-32-87(139)172-83-48-88(140)164-75(64(7)45-72-57-183-69(12)129-72)35-33-60(3)27-25-29-62(5)90(142)67(10)113(158)125(83,13)14/h25-26,29-30,33-34,45-46,57-58,62-63,67-68,70-71,75-84,90-112,117-124,131-135,142-157H,17-24,27-28,31-32,35-44,47-56,59H2,1-16H3,(H,127,160)(H,128,161)/b29-25-,30-26-,60-33-,61-34-,64-45+,65-46+/t62-,63+,67+,68-,70?,71?,75-,76+,77?,78?,79?,80?,81?,82?,83-,84+,90-,91+,92+,93+,94+,95+,96+,97+,98+,99?,100?,101?,102?,103?,104?,105?,106+,107+,108+,109+,110+,111+,112-,117+,118-,119+,120-,121-,122+,123+,124?/m0/s1
• InChIKey: WEYOMFLGPWDSDS-ZTXWTTRRSA-N
• XLogP: 1.03
• TPSA: 829.97 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 57
• Rotatable Bonds: 45
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2709.18
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate?

The IUPAC name of [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate (CID 158447457) is [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate.

What is the SMILES notation for [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate?

The canonical SMILES for [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate is CCc1nc(/C=C(\C)[C@H]2C/C=C(/C)C/C=C\[C@@H](C)[C@@H](O)[C@H](C)C(=O)C(C)(C)[C@H](OC(=O)CCCCCNC(=O)C(CC)CSC3O[C@H]4O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(CO)O[C@@H](O[C@@H]8C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCCCCC(=O)O[C@H]9CC(=O)O[C@H](/C(C)=C/c%10csc(C)n%10)C/C=C(/C)C/C=C\[C@H](C)[C@H](O)[C@@H](C)C(=O)C9(C)C)O[C@H](O[C@@H]9C(CO)O[C@@H](O[C@@H]%10C(CO)O[C@@H](O[C@H]3[C@H](O)C4O)C(O)[C@H]%10O)C(O)[C@H]9O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)CC(=O)O2)cs1.

What is the InChIKey of [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate?

The InChIKey is WEYOMFLGPWDSDS-ZTXWTTRRSA-N. The full InChI is InChI=1S/C126H194N4O51S4/c1-17-70(115(160)127-39-23-19-21-31-86(138)173-84-49-89(141)165-76(65(8)46-73-58-184-85(18-2)130-73)36-34-61(4)28-26-30-63(6)91(143)68(11)114(159)126(84,15)16)56-185-124-112-98(150)105(157)123(181-124)178-110-81(54-135)168-119(101(153)95(110)147)174-106-77(50-131)166-117(99(151)92(106)144)175-107-78(51-132)169-120(102(154)94(107)146)179-111-82(171-122(104(156)97(111)149)177-109-79(52-133)167-118(100(152)93(109)145)176-108-80(53-134)170-121(180-112)103(155)96(108)148)59-182-55-71(47-74(137)38-42-163-44-43-162-41-37-66(9)136)116(161)128-40-24-20-22-32-87(139)172-83-48-88(140)164-75(64(7)45-72-57-183-69(12)129-72)35-33-60(3)27-25-29-62(5)90(142)67(10)113(158)125(83,13)14/h25-26,29-30,33-34,45-46,57-58,62-63,67-68,70-71,75-84,90-112,117-124,131-135,142-157H,17-24,27-28,31-32,35-44,47-56,59H2,1-16H3,(H,127,160)(H,128,161)/b29-25-,30-26-,60-33-,61-34-,64-45+,65-46+/t62-,63+,67+,68-,70?,71?,75-,76+,77?,78?,79?,80?,81?,82?,83-,84+,90-,91+,92+,93+,94+,95+,96+,97+,98+,99?,100?,101?,102?,103?,104?,105?,106+,107+,108+,109+,110+,111+,112-,117+,118-,119+,120-,121-,122+,123+,124?/m0/s1.

What are the key properties of [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate?

[(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate has a molecular weight of 2709.18 g/mol, XLogP of 1.03, 45 rotatable bonds, 23 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,7S,8R,9R,10Z,13Z,16R)-16-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8-hydroxy-5,5,7,9,13-pentamethyl-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl] 6-[2-[[(1S,3R,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-25-[[2-[[6-[[(4S,7R,8S,9S,10Z,13Z,16S)-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,6-dioxo-1-oxacyclohexadeca-10,13-dien-4-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]sulfanylmethyl]butanoylamino]hexanoate is sourced from PubChem (CID 158447457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).