[(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate

C126H194N4O51S4 — CID 58320343

About [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate

[(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate (PubChem CID 58320343) 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)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate.

Molecular Properties

• Compound Name: [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate
• PubChem CID: 58320343
• Molecular Formula: C126H194N4O51S4
• Molecular Weight: 2709.18 g/mol
• Exact Mass: 2707.16
• IUPAC Name: [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate
• SMILES: CCC(CSCC1O[C@H]2O[C@H]3C(CO)O[C@@H](O[C@H]4C(CO)O[C@@H](O[C@H]5C(CO)O[C@@H](O[C@H]6C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCCCCC(=O)O[C@H]7CC(=O)O[C@H](/C(C)=C/c8csc(C)n8)C/C=C(/C)C/C=C\[C@H](C)[C@H](O)[C@@H](C)C(=O)C7(C)C)O[C@@H](O[C@H]7C(CO)O[C@@H](O[C@H]8C(CO)O[C@@H](O[C@@H]1[C@H](O)C2O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O)C(=O)NCCCCCC(=O)O[C@@H]1CC(=O)O[C@@H](/C(C)=C/c2csc(C)n2)C/C=C(/C)C/C=C\[C@@H](C)[C@@H](O)[C@H](C)C(=O)C1(C)C
• InChI: InChI=1S/C126H194N4O51S4/c1-17-71(116(160)127-38-22-18-20-30-87(138)173-85-47-89(140)164-76(64(6)44-73-56-184-69(11)129-73)34-32-60(2)26-24-28-62(4)91(142)67(9)114(158)125(85,13)14)54-182-58-83-112-98(149)105(156)123(171-83)178-110-81(52-134)167-119(101(152)94(110)145)175-107-78(49-131)166-118(100(151)93(107)144)176-108-80(51-133)170-122(104(155)97(108)148)181-113-84(172-124(106(157)99(113)150)179-111-82(53-135)168-120(102(153)95(111)146)177-109-79(50-132)169-121(180-112)103(154)96(109)147)59-183-55-72(46-75(137)37-41-163-43-42-162-40-36-66(8)136)117(161)128-39-23-19-21-31-88(139)174-86-48-90(141)165-77(65(7)45-74-57-185-70(12)130-74)35-33-61(3)27-25-29-63(5)92(143)68(10)115(159)126(86,15)16/h24-25,28-29,32-33,44-45,56-57,62-63,67-68,71-72,76-86,91-113,118-124,131-135,142-157H,17-23,26-27,30-31,34-43,46-55,58-59H2,1-16H3,(H,127,160)(H,128,161)/b28-24-,29-25-,60-32-,61-33-,64-44+,65-45+/t62-,63+,67+,68-,71?,72?,76-,77+,78?,79?,80?,81?,82?,83?,84?,85-,86+,91-,92+,93-,94-,95-,96-,97-,98-,99-,100?,101?,102?,103?,104?,105?,106?,107+,108+,109+,110+,111+,112+,113+,118+,119+,120+,121+,122+,123+,124+/m1/s1
• InChIKey: VCRFMGRFDOAVJY-DIMZGCRDSA-N
• XLogP: 0.82
• 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	0.82
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)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate?

The IUPAC name of [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate (CID 58320343) is [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate.

What is the SMILES notation for [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate?

The canonical SMILES for [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate is CCC(CSCC1O[C@H]2O[C@H]3C(CO)O[C@@H](O[C@H]4C(CO)O[C@@H](O[C@H]5C(CO)O[C@@H](O[C@H]6C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCCCCC(=O)O[C@H]7CC(=O)O[C@H](/C(C)=C/c8csc(C)n8)C/C=C(/C)C/C=C\[C@H](C)[C@H](O)[C@@H](C)C(=O)C7(C)C)O[C@@H](O[C@H]7C(CO)O[C@@H](O[C@H]8C(CO)O[C@@H](O[C@@H]1[C@H](O)C2O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)C(O)[C@H]3O)C(=O)NCCCCCC(=O)O[C@@H]1CC(=O)O[C@@H](/C(C)=C/c2csc(C)n2)C/C=C(/C)C/C=C\[C@@H](C)[C@@H](O)[C@H](C)C(=O)C1(C)C.

What is the InChIKey of [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate?

The InChIKey is VCRFMGRFDOAVJY-DIMZGCRDSA-N. The full InChI is InChI=1S/C126H194N4O51S4/c1-17-71(116(160)127-38-22-18-20-30-87(138)173-85-47-89(140)164-76(64(6)44-73-56-184-69(11)129-73)34-32-60(2)26-24-28-62(4)91(142)67(9)114(158)125(85,13)14)54-182-58-83-112-98(149)105(156)123(171-83)178-110-81(52-134)167-119(101(152)94(110)145)175-107-78(49-131)166-118(100(151)93(107)144)176-108-80(51-133)170-122(104(155)97(108)148)181-113-84(172-124(106(157)99(113)150)179-111-82(53-135)168-120(102(153)95(111)146)177-109-79(50-132)169-121(180-112)103(154)96(109)147)59-183-55-72(46-75(137)37-41-163-43-42-162-40-36-66(8)136)117(161)128-39-23-19-21-31-88(139)174-86-48-90(141)165-77(65(7)45-74-57-185-70(12)130-74)35-33-61(3)27-25-29-63(5)92(143)68(10)115(159)126(86,15)16/h24-25,28-29,32-33,44-45,56-57,62-63,67-68,71-72,76-86,91-113,118-124,131-135,142-157H,17-23,26-27,30-31,34-43,46-55,58-59H2,1-16H3,(H,127,160)(H,128,161)/b28-24-,29-25-,60-32-,61-33-,64-44+,65-45+/t62-,63+,67+,68-,71?,72?,76-,77+,78?,79?,80?,81?,82?,83?,84?,85-,86+,91-,92+,93-,94-,95-,96-,97-,98-,99-,100?,101?,102?,103?,104?,105?,106?,107+,108+,109+,110+,111+,112+,113+,118+,119+,120+,121+,122+,123+,124+/m1/s1.

What are the key properties of [(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate?

[(4R,7S,8R,9R,10Z,13Z,16R)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate has a molecular weight of 2709.18 g/mol, XLogP of 0.82, 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)-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] 6-[2-[[(1R,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-20-[[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-5-yl]methylsulfanylmethyl]butanoylamino]hexanoate is sourced from PubChem (CID 58320343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).