[(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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

C124H196N6O51S4 — CID 58537044

About [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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

[(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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 58537044) has the molecular formula C124H196N6O51S4 and a molecular weight of 2715.19 g/mol. Its IUPAC name is [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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: [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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: 58537044
• Molecular Formula: C124H196N6O51S4
• Molecular Weight: 2715.19 g/mol
• Exact Mass: 2713.18
• IUPAC Name: [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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)COCCOCC(C)=O)C(=O)NCCCCCC(=O)O[C@H]7C(C)C(=O)C(C)(C)[C@H](O)CC(=O)N[C@@H](/C(C)=C/c8csc(C)n8)C[C@H]8O[C@@]8(C)CCC[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)CCC[C@@]2(C)O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)NC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C
• InChI: InChI=1S/C124H196N6O51S4/c1-17-65(112(160)125-32-22-18-20-28-85(142)171-101-56(2)26-24-30-123(15)81(180-123)39-70(58(4)36-67-52-184-63(9)127-67)129-83(140)41-79(138)121(11,12)110(158)61(101)7)50-182-54-77-108-92(149)99(156)119(169-77)176-106-75(46-134)165-115(95(152)88(106)145)173-103-72(43-131)164-114(94(151)87(103)144)174-104-74(45-133)168-118(98(155)91(104)148)179-109-78(170-120(100(157)93(109)150)177-107-76(47-135)166-116(96(153)89(107)146)175-105-73(44-132)167-117(178-108)97(154)90(105)147)55-183-51-66(38-69(137)49-163-35-34-162-48-60(6)136)113(161)126-33-23-19-21-29-86(143)172-102-57(3)27-25-31-124(16)82(181-124)40-71(59(5)37-68-53-185-64(10)128-68)130-84(141)42-80(139)122(13,14)111(159)62(102)8/h36-37,52-53,56-57,61-62,65-66,70-82,87-109,114-120,131-135,138-139,144-157H,17-35,38-51,54-55H2,1-16H3,(H,125,160)(H,126,161)(H,129,140)(H,130,141)/b58-36+,59-37+/t56-,57+,61+,62?,65?,66?,70-,71+,72?,73?,74?,75?,76?,77?,78?,79-,80+,81-,82+,87+,88+,89+,90+,91+,92+,93+,94?,95?,96?,97?,98?,99?,100?,101-,102+,103-,104-,105-,106-,107-,108-,109-,114-,115-,116-,117-,118-,119-,120-,123+,124-/m0/s1
• InChIKey: CUBDARBFXGFWLE-RXSBFPAKSA-N
• XLogP: -1.94
• TPSA: 860.63 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 57
• Rotatable Bonds: 43
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2715.19
LogP ≤ 5	-1.94
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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 [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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 58537044) is [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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 [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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 [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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)COCCOCC(C)=O)C(=O)NCCCCCC(=O)O[C@H]7C(C)C(=O)C(C)(C)[C@H](O)CC(=O)N[C@@H](/C(C)=C/c8csc(C)n8)C[C@H]8O[C@@]8(C)CCC[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)CCC[C@@]2(C)O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)NC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C.

What is the InChIKey of [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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 CUBDARBFXGFWLE-RXSBFPAKSA-N. The full InChI is InChI=1S/C124H196N6O51S4/c1-17-65(112(160)125-32-22-18-20-28-85(142)171-101-56(2)26-24-30-123(15)81(180-123)39-70(58(4)36-67-52-184-63(9)127-67)129-83(140)41-79(138)121(11,12)110(158)61(101)7)50-182-54-77-108-92(149)99(156)119(169-77)176-106-75(46-134)165-115(95(152)88(106)145)173-103-72(43-131)164-114(94(151)87(103)144)174-104-74(45-133)168-118(98(155)91(104)148)179-109-78(170-120(100(157)93(109)150)177-107-76(47-135)166-116(96(153)89(107)146)175-105-73(44-132)167-117(178-108)97(154)90(105)147)55-183-51-66(38-69(137)49-163-35-34-162-48-60(6)136)113(161)126-33-23-19-21-29-86(143)172-102-57(3)27-25-31-124(16)82(181-124)40-71(59(5)37-68-53-185-64(10)128-68)130-84(141)42-80(139)122(13,14)111(159)62(102)8/h36-37,52-53,56-57,61-62,65-66,70-82,87-109,114-120,131-135,138-139,144-157H,17-35,38-51,54-55H2,1-16H3,(H,125,160)(H,126,161)(H,129,140)(H,130,141)/b58-36+,59-37+/t56-,57+,61+,62?,65?,66?,70-,71+,72?,73?,74?,75?,76?,77?,78?,79-,80+,81-,82+,87+,88+,89+,90+,91+,92+,93+,94?,95?,96?,97?,98?,99?,100?,101-,102+,103-,104-,105-,106-,107-,108-,109-,114-,115-,116-,117-,118-,119-,120-,123+,124-/m0/s1.

What are the key properties of [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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?

[(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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 2715.19 g/mol, XLogP of -1.94, 43 rotatable bonds, 25 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-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-[[(1R,3R,7R,10S,11R,12R,16S)-7-hydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,9-dioxo-17-oxa-4-azabicyclo[14.1.0]heptadecan-11-yl]oxy]-6-oxohexyl]carbamoyl]-4-oxo-5-[2-(2-oxopropoxy)ethoxy]pentyl]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 58537044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).