[(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one

C229H376O56P8Si8 — CID 161160431

About [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one

[(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one (PubChem CID 161160431) has the molecular formula C229H376O56P8Si8 and a molecular weight of 4497.95 g/mol. Its IUPAC name is [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one.

Molecular Properties

• Compound Name: [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one
• PubChem CID: 161160431
• Molecular Formula: C229H376O56P8Si8
• Molecular Weight: 4497.95 g/mol
• Exact Mass: 4494.26
• IUPAC Name: [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one
• SMILES: C=C1/C=C\C(O[Si](C)(C)C(C)(C)C)C2OC3CCC(CC(=O)OC4C(CC5OC(CCC6OC(CC1)CC6=C)CC(C)=C5COC(=O)CC)OC1CC(P=O)C(CCP=O)OC1C4C)OC3C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C.C=C1/C=C\C(O[Si](C)(C)C(C)(C)C)C2OC3CCC(CC(=O)OC4C(CC5OC(CCC6OC(CC1)CC6=C)CC(C)C5=C)OC1CC(P=O)C(CCP=O)OC1C4C)OC3C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C.C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)OC8C(CC9OC(CCC1O2)CC(C)=C9COC(=O)COC)OC1CC(OP)C(CCP=O)OC1C8C)OC7C6O3)C5O4.C=C=C(C)CC(C)CCC1OC(CCC(=O)/C=C\C(C)C2CC3CCC(CC(=O)OC4C(CC(C)OC)OC5CC(P=O)C(CCP=O)OC5C4C)OC3C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1=C
• InChI: InChI=1S/C64H108O15P2Si3.C61H104O13P2Si3.C59H100O12P2Si2.C45H64O16P2/c1-21-54(65)69-37-45-39(3)32-43-25-28-46-40(4)33-42(70-46)24-22-38(2)23-27-49(77-82(15,16)62(6,7)8)59-61(79-84(19,20)64(12,13)14)60(78-83(17,18)63(9,10)11)58-48(75-59)29-26-44(72-58)34-55(66)76-57-41(5)56-52(73-51(57)35-50(45)71-43)36-53(81-68)47(74-56)30-31-80-67;1-36-21-23-41-32-38(3)44(65-41)27-24-42-31-37(2)39(4)48(66-42)34-49-54(40(5)53-50(68-49)35-51(76-64)45(69-53)29-30-75-63)71-52(62)33-43-25-28-46-55(67-43)57(73-78(17,18)60(9,10)11)58(74-79(19,20)61(12,13)14)56(70-46)47(26-22-36)72-77(15,16)59(6,7)8;1-19-36(2)30-37(3)20-27-47-39(5)31-44(65-47)26-24-43(60)23-21-38(4)46-33-42-22-25-45(66-55(42)57(71-75(17,18)59(11,12)13)56(46)70-74(15,16)58(8,9)10)34-52(61)69-54-41(7)53-50(67-49(54)32-40(6)64-14)35-51(73-63)48(68-53)28-29-72-62;1-21-13-24-5-7-28-22(2)14-26(51-28)9-11-45-18-35-41(59-45)42-43(57-35)44(60-45)40-30(56-42)8-6-25(53-40)15-36(46)58-39-23(3)38-34(17-32(61-62)29(55-38)10-12-63-48)54-33(39)16-31(52-24)27(21)19-50-37(47)20-49-4/h23,27,41-44,46-53,56-61H,2,4,21-22,24-26,28-37H2,1,3,5-20H3;22,26,37,40-51,53-58H,1,3-4,21,23-25,27-35H2,2,5-20H3;21,23,37-38,40-42,44-51,53-57H,1,5,20,22,24-35H2,2-4,6-18H3;23-26,28-35,38-44H,2,5-20,62H2,1,3-4H3/b27-23-;26-22-
• InChIKey: UPVSVBPXCJWSNR-PWGPICHTSA-N
• XLogP: 49.10
• TPSA: 626.64 Ų
• H-Bond Acceptors: 56
• Rotatable Bonds: 56
• Heavy Atoms: 301
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4497.95
LogP ≤ 5	49.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one?

The IUPAC name of [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one (CID 161160431) is [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one.

What is the SMILES notation for [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one?

The canonical SMILES for [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one is C=C1/C=C\C(O[Si](C)(C)C(C)(C)C)C2OC3CCC(CC(=O)OC4C(CC5OC(CCC6OC(CC1)CC6=C)CC(C)=C5COC(=O)CC)OC1CC(P=O)C(CCP=O)OC1C4C)OC3C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C.C=C1/C=C\C(O[Si](C)(C)C(C)(C)C)C2OC3CCC(CC(=O)OC4C(CC5OC(CCC6OC(CC1)CC6=C)CC(C)C5=C)OC1CC(P=O)C(CCP=O)OC1C4C)OC3C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C.C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)OC8C(CC9OC(CCC1O2)CC(C)=C9COC(=O)COC)OC1CC(OP)C(CCP=O)OC1C8C)OC7C6O3)C5O4.C=C=C(C)CC(C)CCC1OC(CCC(=O)/C=C\C(C)C2CC3CCC(CC(=O)OC4C(CC(C)OC)OC5CC(P=O)C(CCP=O)OC5C4C)OC3C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1=C.

What is the InChIKey of [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one?

The InChIKey is UPVSVBPXCJWSNR-PWGPICHTSA-N. The full InChI is InChI=1S/C64H108O15P2Si3.C61H104O13P2Si3.C59H100O12P2Si2.C45H64O16P2/c1-21-54(65)69-37-45-39(3)32-43-25-28-46-40(4)33-42(70-46)24-22-38(2)23-27-49(77-82(15,16)62(6,7)8)59-61(79-84(19,20)64(12,13)14)60(78-83(17,18)63(9,10)11)58-48(75-59)29-26-44(72-58)34-55(66)76-57-41(5)56-52(73-51(57)35-50(45)71-43)36-53(81-68)47(74-56)30-31-80-67;1-36-21-23-41-32-38(3)44(65-41)27-24-42-31-37(2)39(4)48(66-42)34-49-54(40(5)53-50(68-49)35-51(76-64)45(69-53)29-30-75-63)71-52(62)33-43-25-28-46-55(67-43)57(73-78(17,18)60(9,10)11)58(74-79(19,20)61(12,13)14)56(70-46)47(26-22-36)72-77(15,16)59(6,7)8;1-19-36(2)30-37(3)20-27-47-39(5)31-44(65-47)26-24-43(60)23-21-38(4)46-33-42-22-25-45(66-55(42)57(71-75(17,18)59(11,12)13)56(46)70-74(15,16)58(8,9)10)34-52(61)69-54-41(7)53-50(67-49(54)32-40(6)64-14)35-51(73-63)48(68-53)28-29-72-62;1-21-13-24-5-7-28-22(2)14-26(51-28)9-11-45-18-35-41(59-45)42-43(57-35)44(60-45)40-30(56-42)8-6-25(53-40)15-36(46)58-39-23(3)38-34(17-32(61-62)29(55-38)10-12-63-48)54-33(39)16-31(52-24)27(21)19-50-37(47)20-49-4/h23,27,41-44,46-53,56-61H,2,4,21-22,24-26,28-37H2,1,3,5-20H3;22,26,37,40-51,53-58H,1,3-4,21,23-25,27-35H2,2,5-20H3;21,23,37-38,40-42,44-51,53-57H,1,5,20,22,24-35H2,2-4,6-18H3;23-26,28-35,38-44H,2,5-20,62H2,1,3-4H3/b27-23-;26-22-;;.

What are the key properties of [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one?

[(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one has a molecular weight of 4497.95 g/mol, XLogP of 49.10, 56 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S,4aS,6R,7R,8aS)-2-(2-methoxypropyl)-4-methyl-7-phosphoroso-6-(2-phosphorosoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] 2-[(4aR,6S,7R,8S,8aS)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,2S)-7-[(5S)-5-[(3S)-3,5-dimethylhepta-5,6-dienyl]-4-methylideneoxolan-2-yl]-5-oxohept-3-en-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]acetate;[(1S,3S,6S,12S,18S,20S,22R,23R,25S,26S,31R,34S,36R,37S,38R,40R,41S)-14,26-dimethyl-8-methylidene-29-oxo-22-phosphanyloxy-23-(2-phosphorosoethyl)-2,19,24,28,35,39,42,44,45,46-decaoxadecacyclo[29.9.2.13,37.13,38.16,9.112,16.018,27.020,25.034,41.036,40]hexatetracont-14-en-15-yl]methyl 2-methoxyacetate;[(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32-dimethylidene-14-oxo-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetraconta-25,38-dien-39-yl]methyl propanoate;(3S,5S,7R,8R,10S,11S,12R,19S,20S,21S,22R,23S,24S,25E,36S,38R)-21,22,24-tris[[tert-butyl(dimethyl)silyl]oxy]-11,38-dimethyl-27,32,39-trimethylidene-7-phosphoroso-8-(2-phosphorosoethyl)-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-en-14-one is sourced from PubChem (CID 161160431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).