[(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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

C132H198N4O53S4 — CID 159744753

About [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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

[(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 159744753) has the molecular formula C132H198N4O53S4 and a molecular weight of 2817.28 g/mol. Its IUPAC name is [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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: [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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: 159744753
• Molecular Formula: C132H198N4O53S4
• Molecular Weight: 2817.28 g/mol
• Exact Mass: 2815.18
• IUPAC Name: [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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: C=CC[C@@H]1C(=O)C(C)(C)[C@H](OC(=O)CCCCCNC(=O)C(CC)CSCC2O[C@H]3O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCCCCC(=O)O[C@H]8CC(=O)O[C@H](c9ccc%10sc(C)nc%10c9)C[C@@H]9O[C@]9(C)CCC[C@H](C)[C@H](O)[C@@H](CC=C)C(=O)C8(C)C)O[C@@H](O[C@@H]8C(CO)O[C@H](O[C@@H]9C(CO)O[C@H](O[C@H]2[C@H](O)C3O)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)C(O)[C@H]4O)CC(=O)O[C@@H](c2ccc3sc(C)nc3c2)C[C@H]2O[C@@]2(C)CCC[C@@H](C)[C@H]1O
• InChI: InChI=1S/C132H198N4O53S4/c1-15-26-72-95(148)62(4)28-24-38-131(13)89(188-131)49-76(68-32-34-85-74(47-68)135-65(7)192-85)170-93(146)51-87(129(9,10)118(72)164)179-91(144)30-20-18-22-40-133-120(166)67(17-3)58-190-60-83-116-102(155)109(162)127(177-83)184-114-81(56-140)173-123(105(158)98(114)151)181-111-78(53-137)172-122(104(157)97(111)150)182-112-80(55-139)176-126(108(161)101(112)154)187-117-84(178-128(110(163)103(117)156)185-115-82(57-141)174-124(106(159)99(115)152)183-113-79(54-138)175-125(186-116)107(160)100(113)153)61-191-59-70(46-71(143)37-43-169-45-44-168-42-36-64(6)142)121(167)134-41-23-19-21-31-92(145)180-88-52-94(147)171-77(69-33-35-86-75(48-69)136-66(8)193-86)50-90-132(14,189-90)39-25-29-63(5)96(149)73(27-16-2)119(165)130(88,11)12/h15-16,32-35,47-48,62-63,67,70,72-73,76-84,87-90,95-117,122-128,137-141,148-163H,1-2,17-31,36-46,49-61H2,3-14H3,(H,133,166)(H,134,167)/t62-,63+,67?,70?,72+,73-,76-,77+,78?,79?,80?,81?,82?,83?,84?,87-,88+,89-,90+,95-,96+,97-,98-,99-,100-,101-,102-,103-,104?,105?,106?,107?,108?,109?,110?,111-,112-,113-,114-,115-,116-,117-,122-,123-,124-,125-,126-,127+,128+,131+,132-/m1/s1
• InChIKey: NCXCCPFPCZFMKG-TXQRMKDLSA-N
• XLogP: 1.65
• TPSA: 855.03 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 59
• Rotatable Bonds: 47
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2817.28
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	59

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 159744753) is [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 C=CC[C@@H]1C(=O)C(C)(C)[C@H](OC(=O)CCCCCNC(=O)C(CC)CSCC2O[C@H]3O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(CSCC(CC(=O)CCOCCOCCC(C)=O)C(=O)NCCCCCC(=O)O[C@H]8CC(=O)O[C@H](c9ccc%10sc(C)nc%10c9)C[C@@H]9O[C@]9(C)CCC[C@H](C)[C@H](O)[C@@H](CC=C)C(=O)C8(C)C)O[C@@H](O[C@@H]8C(CO)O[C@H](O[C@@H]9C(CO)O[C@H](O[C@H]2[C@H](O)C3O)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)C(O)[C@H]4O)CC(=O)O[C@@H](c2ccc3sc(C)nc3c2)C[C@H]2O[C@@]2(C)CCC[C@@H](C)[C@H]1O.

What is the InChIKey of [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 NCXCCPFPCZFMKG-TXQRMKDLSA-N. The full InChI is InChI=1S/C132H198N4O53S4/c1-15-26-72-95(148)62(4)28-24-38-131(13)89(188-131)49-76(68-32-34-85-74(47-68)135-65(7)192-85)170-93(146)51-87(129(9,10)118(72)164)179-91(144)30-20-18-22-40-133-120(166)67(17-3)58-190-60-83-116-102(155)109(162)127(177-83)184-114-81(56-140)173-123(105(158)98(114)151)181-111-78(53-137)172-122(104(157)97(111)150)182-112-80(55-139)176-126(108(161)101(112)154)187-117-84(178-128(110(163)103(117)156)185-115-82(57-141)174-124(106(159)99(115)152)183-113-79(54-138)175-125(186-116)107(160)100(113)153)61-191-59-70(46-71(143)37-43-169-45-44-168-42-36-64(6)142)121(167)134-41-23-19-21-31-92(145)180-88-52-94(147)171-77(69-33-35-86-75(48-69)136-66(8)193-86)50-90-132(14,189-90)39-25-29-63(5)96(149)73(27-16-2)119(165)130(88,11)12/h15-16,32-35,47-48,62-63,67,70,72-73,76-84,87-90,95-117,122-128,137-141,148-163H,1-2,17-31,36-46,49-61H2,3-14H3,(H,133,166)(H,134,167)/t62-,63+,67?,70?,72+,73-,76-,77+,78?,79?,80?,81?,82?,83?,84?,87-,88+,89-,90+,95-,96+,97-,98-,99-,100-,101-,102-,103-,104?,105?,106?,107?,108?,109?,110?,111-,112-,113-,114-,115-,116-,117-,122-,123-,124-,125-,126-,127+,128+,131+,132-/m1/s1.

What are the key properties of [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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?

[(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 2817.28 g/mol, XLogP of 1.65, 47 rotatable bonds, 23 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R,7R,10S,11R,12R,16S)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-yl] 6-[2-[[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,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-[[(1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-7-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 159744753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).