[(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 58320367

About [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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

[(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 58320367) has the molecular formula C126H194N4O51S4 and a molecular weight of 2709.18 g/mol. Its IUPAC name is [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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: [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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: 58320367
• Molecular Formula: C126H194N4O51S4
• Molecular Weight: 2709.18 g/mol
• Exact Mass: 2707.16
• IUPAC Name: [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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]7[C@H](C)/C=C\C/C(C)=C\C[C@H](/C(C)=C/c8csc(C)n8)OC(=O)C[C@@H](O)C(C)(C)C(=O)[C@H]7C)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]1[C@@H](C)/C=C\C/C(C)=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C
• InChI: InChI=1S/C126H194N4O51S4/c1-17-71(116(160)127-38-22-18-20-30-87(140)173-105-62(4)28-24-26-60(2)32-34-76(64(6)44-73-56-184-69(11)129-73)164-89(142)47-85(138)125(13,14)114(158)67(105)9)54-182-58-83-112-96(149)103(156)123(171-83)178-110-81(52-134)167-119(99(152)92(110)145)175-107-78(49-131)166-118(98(151)91(107)144)176-108-80(51-133)170-122(102(155)95(108)148)181-113-84(172-124(104(157)97(113)150)179-111-82(53-135)168-120(100(153)93(111)146)177-109-79(50-132)169-121(180-112)101(154)94(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(141)174-106-63(5)29-25-27-61(3)33-35-77(65(7)45-74-57-185-70(12)130-74)165-90(143)48-86(139)126(15,16)115(159)68(106)10/h24-25,28-29,32-33,44-45,56-57,62-63,67-68,71-72,76-86,91-113,118-124,131-135,138-139,144-157H,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-/m0/s1
• InChIKey: ARENNBHKWYJSPY-OPENPTDFSA-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 [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 58320367) is [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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]7[C@H](C)/C=C\C/C(C)=C\C[C@H](/C(C)=C/c8csc(C)n8)OC(=O)C[C@@H](O)C(C)(C)C(=O)[C@H]7C)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]1[C@@H](C)/C=C\C/C(C)=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C.

What is the InChIKey of [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 ARENNBHKWYJSPY-OPENPTDFSA-N. The full InChI is InChI=1S/C126H194N4O51S4/c1-17-71(116(160)127-38-22-18-20-30-87(140)173-105-62(4)28-24-26-60(2)32-34-76(64(6)44-73-56-184-69(11)129-73)164-89(142)47-85(138)125(13,14)114(158)67(105)9)54-182-58-83-112-96(149)103(156)123(171-83)178-110-81(52-134)167-119(99(152)92(110)145)175-107-78(49-131)166-118(98(151)91(107)144)176-108-80(51-133)170-122(102(155)95(108)148)181-113-84(172-124(104(157)97(113)150)179-111-82(53-135)168-120(100(153)93(111)146)177-109-79(50-132)169-121(180-112)101(154)94(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(141)174-106-63(5)29-25-27-61(3)33-35-77(65(7)45-74-57-185-70(12)130-74)165-90(143)48-86(139)126(15,16)115(159)68(106)10/h24-25,28-29,32-33,44-45,56-57,62-63,67-68,71-72,76-86,91-113,118-124,131-135,138-139,144-157H,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-/m0/s1.

What are the key properties of [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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?

[(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 [(4S,7R,8S,9S,10Z,13Z,16S)-4-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-8-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-[[(4R,7S,8R,9R,10Z,13Z,16R)-4-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-8-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 58320367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).