[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate

C183H252N8O51Si2 — CID 159190726

About [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate

[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate (PubChem CID 159190726) has the molecular formula C183H252N8O51Si2 and a molecular weight of 3436.21 g/mol. Its IUPAC name is [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate.

Molecular Properties

• Compound Name: [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
• PubChem CID: 159190726
• Molecular Formula: C183H252N8O51Si2
• Molecular Weight: 3436.21 g/mol
• Exact Mass: 3433.69
• IUPAC Name: [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
• SMILES: C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](NC(=O)OC(C)(C)C)c4cnco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4cnco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](NC(=O)OC(C)(C)C)c4cnco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
• InChI: InChI=1S/C54H79N3O14Si.C52H74N2O14Si.C45H59N3O14.C32H40O9/c1-30(2)72(31(3)4,32(5)6)71-43(41(37-26-55-29-64-37)56-49(61)70-50(9,10)11)48(60)65-36-25-54(62)46(68-47(59)35-19-16-15-17-20-35)44-52(14,22-21-38-53(44,28-63-38)69-34(8)58)45-42(40(33(36)7)51(54,12)13)66-39(67-45)27-57-23-18-24-57;1-16-37-63-40-38-31(8)34(62-46(57)41(68-69(28(2)3,29(4)5)30(6)7)39(35-25-53-27-61-35)54-47(58)67-48(10,11)12)24-52(59,49(38,13)14)44(65-45(56)33-20-18-17-19-21-33)42-50(15,43(40)64-37)23-22-36-51(42,26-60-36)66-32(9)55;1-24-27(57-39(52)33(50)32(28-20-46-23-56-28)47-40(53)62-41(3,4)5)19-45(54)37(60-38(51)26-13-10-9-11-14-26)35-43(8,16-15-29-44(35,22-55-29)61-25(2)49)36-34(31(24)42(45,6)7)58-30(59-36)21-48-17-12-18-48;1-7-22-38-24-23-17(2)20(34)15-32(36,29(23,4)5)27(40-28(35)19-11-9-8-10-12-19)25-30(6,26(24)39-22)14-13-21-31(25,16-37-21)41-18(3)33/h15-17,19-20,26,29-32,36,38-39,41-46,62H,18,21-25,27-28H2,1-14H3,(H,56,61);16-21,25,27-30,34,36-37,39-44,59H,1,22-24,26H2,2-15H3,(H,54,58);9-11,13-14,20,23,27,29-30,32-37,50,54H,12,15-19,21-22H2,1-8H3,(H,47,53);7-12,20-22,24-27,34,36H,1,13-16H2,2-6H3/t36-,38+,39+,41-,42+,43+,44-,45+,46-,52+,53-,54+;34-,36+,37+,39-,40+,41+,42-,43+,44-,50+,51-,52+;27-,29+,30+,32-,33+,34+,35-,36+,37-,43+,44-,45+;20-,21+,22+,24+,25-,26+,27-,30+,31-,32+/m0000/s1
• InChIKey: KOBAVPHODAVIFA-QCPFNIEHSA-N
• XLogP: 24.84
• TPSA: 739.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 56
• Rotatable Bonds: 43
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3436.21
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate?

The IUPAC name of [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate (CID 159190726) is [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate.

What is the SMILES notation for [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate?

The canonical SMILES for [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate is C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](NC(=O)OC(C)(C)C)c4cnco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4cnco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](NC(=O)OC(C)(C)C)c4cnco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.

What is the InChIKey of [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate?

The InChIKey is KOBAVPHODAVIFA-QCPFNIEHSA-N. The full InChI is InChI=1S/C54H79N3O14Si.C52H74N2O14Si.C45H59N3O14.C32H40O9/c1-30(2)72(31(3)4,32(5)6)71-43(41(37-26-55-29-64-37)56-49(61)70-50(9,10)11)48(60)65-36-25-54(62)46(68-47(59)35-19-16-15-17-20-35)44-52(14,22-21-38-53(44,28-63-38)69-34(8)58)45-42(40(33(36)7)51(54,12)13)66-39(67-45)27-57-23-18-24-57;1-16-37-63-40-38-31(8)34(62-46(57)41(68-69(28(2)3,29(4)5)30(6)7)39(35-25-53-27-61-35)54-47(58)67-48(10,11)12)24-52(59,49(38,13)14)44(65-45(56)33-20-18-17-19-21-33)42-50(15,43(40)64-37)23-22-36-51(42,26-60-36)66-32(9)55;1-24-27(57-39(52)33(50)32(28-20-46-23-56-28)47-40(53)62-41(3,4)5)19-45(54)37(60-38(51)26-13-10-9-11-14-26)35-43(8,16-15-29-44(35,22-55-29)61-25(2)49)36-34(31(24)42(45,6)7)58-30(59-36)21-48-17-12-18-48;1-7-22-38-24-23-17(2)20(34)15-32(36,29(23,4)5)27(40-28(35)19-11-9-8-10-12-19)25-30(6,26(24)39-22)14-13-21-31(25,16-37-21)41-18(3)33/h15-17,19-20,26,29-32,36,38-39,41-46,62H,18,21-25,27-28H2,1-14H3,(H,56,61);16-21,25,27-30,34,36-37,39-44,59H,1,22-24,26H2,2-15H3,(H,54,58);9-11,13-14,20,23,27,29-30,32-37,50,54H,12,15-19,21-22H2,1-8H3,(H,47,53);7-12,20-22,24-27,34,36H,1,13-16H2,2-6H3/t36-,38+,39+,41-,42+,43+,44-,45+,46-,52+,53-,54+;34-,36+,37+,39-,40+,41+,42-,43+,44-,50+,51-,52+;27-,29+,30+,32-,33+,34+,35-,36+,37-,43+,44-,45+;20-,21+,22+,24+,25-,26+,27-,30+,31-,32+/m0000/s1.

What are the key properties of [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate?

[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate has a molecular weight of 3436.21 g/mol, XLogP of 24.84, 43 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate is sourced from PubChem (CID 159190726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).