1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate

C187H237N5O42 — CID 158589507

About 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate

1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate (PubChem CID 158589507) has the molecular formula C187H237N5O42 and a molecular weight of 3226.95 g/mol. Its IUPAC name is 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate.

Molecular Properties

• Compound Name: 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate
• PubChem CID: 158589507
• Molecular Formula: C187H237N5O42
• Molecular Weight: 3226.95 g/mol
• Exact Mass: 3224.66
• IUPAC Name: 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate
• SMILES: C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(C)=O)CC1(C)C.C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(=O)OCC2OC(O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CC1(C)C.C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(=O)Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)CC1(C)C.C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(C)=O)CC1(C)C.CC(=O)CCC(=O)OC1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(OC(=O)CCC(=O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)CC2(C)C)=C(C)C1=O
• InChI: InChI=1S/C59H73N5O12.C44H48O7.C43H60O15.C21H28O4.C20H28O4/c1-35(18-14-20-37(3)22-25-42-40(6)51(69)44(30-58(42,8)9)74-48(67)27-24-39(5)65)16-12-13-17-36(2)19-15-21-38(4)23-26-43-41(7)52(70)45(31-59(43,10)11)75-49(68)29-28-47(66)73-32-46-53(71)54(72)57(76-46)64-34-63-50-55(60)61-33-62-56(50)64;1-8-30(2)12-9-10-13-31(3)14-11-15-32(4)16-23-39-33(5)43(49)40(29-44(39,6)7)51-42(48)25-24-41(47)50-38-21-19-34(20-22-38)17-18-35-26-36(45)28-37(46)27-35;1-8-12-24(2)13-9-10-14-25(3)15-11-16-26(4)17-18-28-27(5)34(47)29(21-43(28,6)7)55-33(46)20-19-32(45)54-23-31-40(37(50)38(51)41(53)56-31)58-42-39(52)36(49)35(48)30(22-44)57-42;1-7-8-14(2)9-11-17-16(4)20(24)18(13-21(17,5)6)25-19(23)12-10-15(3)22;1-7-13(2)8-10-16-15(4)19(23)17(12-20(16,5)6)24-18(22)11-9-14(3)21/h12-23,25-26,33-34,44-46,53-54,57,71-72H,24,27-32H2,1-11H3,(H2,60,61,62);8-23,26-28,40,45-46H,1,24-25,29H2,2-7H3;8-18,29-31,35-42,44,48-53H,19-23H2,1-7H3;7-9,11,18H,1,10,12-13H2,2-6H3;7-8,10,17H,9,11-12H2,1-6H3/b13-12+,18-14+,19-15+,25-22+,26-23+,35-16+,36-17+,37-20+,38-21+;10-9+,14-11+,18-17+,23-16+,30-12+,31-13+,32-15+;10-9+,12-8+,15-11+,18-17+,24-13+,25-14+,26-16+;11-9+,14-8+;10-8+,13-7+
• InChIKey: HUGQKTGKASAKNQ-ZIAUYTCJSA-N
• XLogP: 29.24
• TPSA: 719.40 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 47
• Rotatable Bonds: 64
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3226.95
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate?

The IUPAC name of 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate (CID 158589507) is 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate.

What is the SMILES notation for 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate?

The canonical SMILES for 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate is C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(C)=O)CC1(C)C.C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(=O)OCC2OC(O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CC1(C)C.C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(=O)Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)CC1(C)C.C=C/C=C(C)/C=C/C1=C(C)C(=O)C(OC(=O)CCC(C)=O)CC1(C)C.CC(=O)CCC(=O)OC1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(OC(=O)CCC(=O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)CC2(C)C)=C(C)C1=O.

What is the InChIKey of 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate?

The InChIKey is HUGQKTGKASAKNQ-ZIAUYTCJSA-N. The full InChI is InChI=1S/C59H73N5O12.C44H48O7.C43H60O15.C21H28O4.C20H28O4/c1-35(18-14-20-37(3)22-25-42-40(6)51(69)44(30-58(42,8)9)74-48(67)27-24-39(5)65)16-12-13-17-36(2)19-15-21-38(4)23-26-43-41(7)52(70)45(31-59(43,10)11)75-49(68)29-28-47(66)73-32-46-53(71)54(72)57(76-46)64-34-63-50-55(60)61-33-62-56(50)64;1-8-30(2)12-9-10-13-31(3)14-11-15-32(4)16-23-39-33(5)43(49)40(29-44(39,6)7)51-42(48)25-24-41(47)50-38-21-19-34(20-22-38)17-18-35-26-36(45)28-37(46)27-35;1-8-12-24(2)13-9-10-14-25(3)15-11-16-26(4)17-18-28-27(5)34(47)29(21-43(28,6)7)55-33(46)20-19-32(45)54-23-31-40(37(50)38(51)41(53)56-31)58-42-39(52)36(49)35(48)30(22-44)57-42;1-7-8-14(2)9-11-17-16(4)20(24)18(13-21(17,5)6)25-19(23)12-10-15(3)22;1-7-13(2)8-10-16-15(4)19(23)17(12-20(16,5)6)24-18(22)11-9-14(3)21/h12-23,25-26,33-34,44-46,53-54,57,71-72H,24,27-32H2,1-11H3,(H2,60,61,62);8-23,26-28,40,45-46H,1,24-25,29H2,2-7H3;8-18,29-31,35-42,44,48-53H,19-23H2,1-7H3;7-9,11,18H,1,10,12-13H2,2-6H3;7-8,10,17H,9,11-12H2,1-6H3/b13-12+,18-14+,19-15+,25-22+,26-23+,35-16+,36-17+,37-20+,38-21+;10-9+,14-11+,18-17+,23-16+,30-12+,31-13+,32-15+;10-9+,12-8+,15-11+,18-17+,24-13+,25-14+,26-16+;11-9+,14-8+;10-8+,13-7+.

What are the key properties of 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate?

1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate has a molecular weight of 3226.95 g/mol, XLogP of 29.24, 64 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(4-oxopentanoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] butanedioate;4-O-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl] 1-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyltetradeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;1-O-[[4,5,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl] 4-O-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaenyl]cyclohex-3-en-1-yl] butanedioate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylhexa-1,3,5-trienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate;[3,5,5-trimethyl-4-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-oxocyclohex-3-en-1-yl] 4-oxopentanoate is sourced from PubChem (CID 158589507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).