[(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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate

C126H204N8O51S8 — CID 159403851

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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate

[(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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate (PubChem CID 159403851) has the molecular formula C126H204N8O51S8 and a molecular weight of 2903.56 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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate.

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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate
• PubChem CID: 159403851
• Molecular Formula: C126H204N8O51S8
• Molecular Weight: 2903.56 g/mol
• Exact Mass: 2901.14
• 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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate
• SMILES: CC(=O)CCOCCOCCC(=O)CC(C)C(=O)NCCSSCCNC(=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.CCSCC1O[C@@H]2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CSCC(NC)C(=O)NCCSSCCCC(=O)O[C@H]6[C@@H](C)CCC[C@@]7(C)O[C@H]7C[C@@H](/C(C)=C/c7csc(C)n7)NC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]6C)O[C@H](O[C@@H]6C(CO)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
• InChI: InChI=1S/C81H132N4O40S5.C45H72N4O11S3/c1-10-126-29-43-69-54(99)61(106)78(115-43)121-67-41(25-89)111-75(57(102)50(67)95)120-66-40(24-88)114-77(60(105)53(66)98)124-70-44(116-79(62(107)55(70)100)122-68-42(26-90)112-74(58(103)51(68)96)118-64-38(22-86)110-73(56(101)49(64)94)119-65-39(23-87)113-76(123-69)59(104)52(65)97)30-127-28-37(82-9)72(109)83-16-18-130-129-17-12-14-48(93)117-63-31(2)13-11-15-81(8)46(125-81)20-36(32(3)19-35-27-128-34(5)84-35)85-47(92)21-45(91)80(6,7)71(108)33(63)4;1-28-11-10-14-45(9)38(60-45)25-36(29(2)23-34-27-61-33(6)48-34)49-39(53)26-37(52)44(7,8)41(54)32(5)40(28)59-43(56)47-16-22-63-62-21-15-46-42(55)30(3)24-35(51)13-18-58-20-19-57-17-12-31(4)50/h19,27,31,33,36-46,49-70,73-79,82,86-91,94-107H,10-18,20-26,28-30H2,1-9H3,(H,83,109)(H,85,92);23,27-28,30,32,36-38,40,52H,10-22,24-26H2,1-9H3,(H,46,55)(H,47,56)(H,49,53)/b32-19+;29-23+/t31-,33+,36-,37?,38?,39?,40?,41?,42?,43?,44?,45-,46-,49+,50+,51+,52+,53+,54+,55+,56?,57?,58?,59?,60?,61?,62?,63-,64+,65-,66+,67+,68+,69+,70+,73+,74+,75+,76+,77+,78+,79+,81+;28-,30?,32+,36-,37-,38-,40-,45+/m00/s1
• InChIKey: LNRVJJJYKCQDGG-LICPMMKDSA-N
• XLogP: -0.97
• TPSA: 884.69 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 62
• Rotatable Bonds: 47
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2903.56
LogP ≤ 5	-0.97
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate?

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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate (CID 159403851) 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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate.

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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate?

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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate is CC(=O)CCOCCOCCC(=O)CC(C)C(=O)NCCSSCCNC(=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.CCSCC1O[C@@H]2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CSCC(NC)C(=O)NCCSSCCCC(=O)O[C@H]6[C@@H](C)CCC[C@@]7(C)O[C@H]7C[C@@H](/C(C)=C/c7csc(C)n7)NC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]6C)O[C@H](O[C@@H]6C(CO)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.

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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate?

The InChIKey is LNRVJJJYKCQDGG-LICPMMKDSA-N. The full InChI is InChI=1S/C81H132N4O40S5.C45H72N4O11S3/c1-10-126-29-43-69-54(99)61(106)78(115-43)121-67-41(25-89)111-75(57(102)50(67)95)120-66-40(24-88)114-77(60(105)53(66)98)124-70-44(116-79(62(107)55(70)100)122-68-42(26-90)112-74(58(103)51(68)96)118-64-38(22-86)110-73(56(101)49(64)94)119-65-39(23-87)113-76(123-69)59(104)52(65)97)30-127-28-37(82-9)72(109)83-16-18-130-129-17-12-14-48(93)117-63-31(2)13-11-15-81(8)46(125-81)20-36(32(3)19-35-27-128-34(5)84-35)85-47(92)21-45(91)80(6,7)71(108)33(63)4;1-28-11-10-14-45(9)38(60-45)25-36(29(2)23-34-27-61-33(6)48-34)49-39(53)26-37(52)44(7,8)41(54)32(5)40(28)59-43(56)47-16-22-63-62-21-15-46-42(55)30(3)24-35(51)13-18-58-20-19-57-17-12-31(4)50/h19,27,31,33,36-46,49-70,73-79,82,86-91,94-107H,10-18,20-26,28-30H2,1-9H3,(H,83,109)(H,85,92);23,27-28,30,32,36-38,40,52H,10-22,24-26H2,1-9H3,(H,46,55)(H,47,56)(H,49,53)/b32-19+;29-23+/t31-,33+,36-,37?,38?,39?,40?,41?,42?,43?,44?,45-,46-,49+,50+,51+,52+,53+,54+,55+,56?,57?,58?,59?,60?,61?,62?,63-,64+,65-,66+,67+,68+,69+,70+,73+,74+,75+,76+,77+,78+,79+,81+;28-,30?,32+,36-,37-,38-,40-,45+/m00/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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate?

[(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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate has a molecular weight of 2903.56 g/mol, XLogP of -0.97, 47 rotatable bonds, 27 hydrogen bond donors, and 62 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] 4-[2-[[3-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23S,26S,28R,31R,33R,36R,38R,40R,42R,44R,46R,48R)-25-(ethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,30,35-pentakis(hydroxymethyl)-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]methylsulfanyl]-2-(methylamino)propanoyl]amino]ethyldisulfanyl]butanoate;[(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] N-[2-[2-[[2-methyl-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]ethyldisulfanyl]ethyl]carbamate is sourced from PubChem (CID 159403851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).