[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate

C209H342N8O64 — CID 159342894

About [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate

[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate (PubChem CID 159342894) has the molecular formula C209H342N8O64 and a molecular weight of 3991.03 g/mol. Its IUPAC name is [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate
• PubChem CID: 159342894
• Molecular Formula: C209H342N8O64
• Molecular Weight: 3991.03 g/mol
• Exact Mass: 3988.38
• IUPAC Name: [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate
• SMILES: CC(=O)OCC1C[C@H]2OC(C)=NC2[C@@H](C)[C@H]1C.CC(=O)OCC1O[C@@H](OCCCCC(=O)CCOCC(C)(COCCC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](C)[C@H](C)C2C)COCCC(=O)NCCCO[C@@H]2OC(COC(C)=O)[C@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C.CC(=O)OCC1O[C@@H](OCCCCC(=O)CCOCC(N)(COCCC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](C)[C@H](C)C2C)COCCC(=O)NCCCO[C@@H]2OC(COC(C)=O)[C@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C.CC(=O)OCC1O[C@@H](OCCCN)C(C)[C@@H](C)[C@H]1C.CC(=O)OCC1O[C@@H](OCCCNCC(=O)c2ccccc2)C(C)[C@@H](C)[C@H]1C.O=C(CNCCCCO)c1ccccc1.O=C(O)CCCC(=O)OCc1ccccc1.O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)NCC(=O)c1ccccc1
• InChI: InChI=1S/C58H101NO18.C57H100N2O18.C22H33NO5.C21H29NO10.C14H27NO4.C13H21NO3.C12H17NO2.C12H14O4/c1-37-40(4)51(31-72-46(10)60)75-55(43(37)7)69-25-16-14-19-49(63)21-28-66-34-58(13,35-67-29-22-50(64)20-15-17-26-70-56-44(8)38(2)41(5)52(76-56)32-73-47(11)61)36-68-30-23-54(65)59-24-18-27-71-57-45(9)39(3)42(6)53(77-57)33-74-48(12)62;1-36-39(4)50(30-72-45(10)60)75-54(42(36)7)69-24-15-13-18-48(63)20-27-66-33-57(58,34-67-28-21-49(64)19-14-16-25-70-55-43(8)37(2)40(5)51(76-55)31-73-46(11)61)35-68-29-22-53(65)59-23-17-26-71-56-44(9)38(3)41(6)52(77-56)32-74-47(12)62;1-15-16(2)21(14-27-18(4)24)28-22(17(15)3)26-12-8-11-23-13-20(25)19-9-6-5-7-10-19;23-17(16-4-2-1-3-5-16)12-22-21(13-30-9-6-18(24)25,14-31-10-7-19(26)27)15-32-11-8-20(28)29;1-9-10(2)13(8-18-12(4)16)19-14(11(9)3)17-7-5-6-15;1-7-8(2)13-12(17-9(3)14-13)5-11(7)6-16-10(4)15;14-9-5-4-8-13-10-12(15)11-6-2-1-3-7-11;13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h37-45,51-53,55-57H,14-36H2,1-13H3,(H,59,65);36-44,50-52,54-56H,13-35,58H2,1-12H3,(H,59,65);5-7,9-10,15-17,21-23H,8,11-14H2,1-4H3;1-5,22H,6-15H2,(H,24,25)(H,26,27)(H,28,29);9-11,13-14H,5-8,15H2,1-4H3;7-8,11-13H,5-6H2,1-4H3;1-3,6-7,13-14H,4-5,8-10H2;1-3,5-6H,4,7-9H2,(H,13,14)/t37-,38-,39-,40+,41+,42+,43?,44?,45?,51?,52?,53?,55+,56+,57+,58?;36-,37-,38-,39+,40+,41+,42?,43?,44?,50?,51?,52?,54+,55+,56+,57?;15-,16+,17?,21?,22+;;9-,10+,11?,13?,14+;7-,8+,11?,12-,13?;;/m000.01../s1
• InChIKey: LGIVTCZTKXCJHS-XXHZEYMESA-N
• XLogP: 24.89
• TPSA: 950.59 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 66
• Rotatable Bonds: 126
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3991.03
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate?

The IUPAC name of [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate (CID 159342894) is [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate.

What is the SMILES notation for [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate?

The canonical SMILES for [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate is CC(=O)OCC1C[C@H]2OC(C)=NC2[C@@H](C)[C@H]1C.CC(=O)OCC1O[C@@H](OCCCCC(=O)CCOCC(C)(COCCC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](C)[C@H](C)C2C)COCCC(=O)NCCCO[C@@H]2OC(COC(C)=O)[C@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C.CC(=O)OCC1O[C@@H](OCCCCC(=O)CCOCC(N)(COCCC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](C)[C@H](C)C2C)COCCC(=O)NCCCO[C@@H]2OC(COC(C)=O)[C@H](C)[C@H](C)C2C)C(C)[C@@H](C)[C@H]1C.CC(=O)OCC1O[C@@H](OCCCN)C(C)[C@@H](C)[C@H]1C.CC(=O)OCC1O[C@@H](OCCCNCC(=O)c2ccccc2)C(C)[C@@H](C)[C@H]1C.O=C(CNCCCCO)c1ccccc1.O=C(O)CCCC(=O)OCc1ccccc1.O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)NCC(=O)c1ccccc1.

What is the InChIKey of [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate?

The InChIKey is LGIVTCZTKXCJHS-XXHZEYMESA-N. The full InChI is InChI=1S/C58H101NO18.C57H100N2O18.C22H33NO5.C21H29NO10.C14H27NO4.C13H21NO3.C12H17NO2.C12H14O4/c1-37-40(4)51(31-72-46(10)60)75-55(43(37)7)69-25-16-14-19-49(63)21-28-66-34-58(13,35-67-29-22-50(64)20-15-17-26-70-56-44(8)38(2)41(5)52(76-56)32-73-47(11)61)36-68-30-23-54(65)59-24-18-27-71-57-45(9)39(3)42(6)53(77-57)33-74-48(12)62;1-36-39(4)50(30-72-45(10)60)75-54(42(36)7)69-24-15-13-18-48(63)20-27-66-33-57(58,34-67-28-21-49(64)19-14-16-25-70-55-43(8)37(2)40(5)51(76-55)31-73-46(11)61)35-68-29-22-53(65)59-23-17-26-71-56-44(9)38(3)41(6)52(77-56)32-74-47(12)62;1-15-16(2)21(14-27-18(4)24)28-22(17(15)3)26-12-8-11-23-13-20(25)19-9-6-5-7-10-19;23-17(16-4-2-1-3-5-16)12-22-21(13-30-9-6-18(24)25,14-31-10-7-19(26)27)15-32-11-8-20(28)29;1-9-10(2)13(8-18-12(4)16)19-14(11(9)3)17-7-5-6-15;1-7-8(2)13-12(17-9(3)14-13)5-11(7)6-16-10(4)15;14-9-5-4-8-13-10-12(15)11-6-2-1-3-7-11;13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h37-45,51-53,55-57H,14-36H2,1-13H3,(H,59,65);36-44,50-52,54-56H,13-35,58H2,1-12H3,(H,59,65);5-7,9-10,15-17,21-23H,8,11-14H2,1-4H3;1-5,22H,6-15H2,(H,24,25)(H,26,27)(H,28,29);9-11,13-14H,5-8,15H2,1-4H3;7-8,11-13H,5-6H2,1-4H3;1-3,6-7,13-14H,4-5,8-10H2;1-3,5-6H,4,7-9H2,(H,13,14)/t37-,38-,39-,40+,41+,42+,43?,44?,45?,51?,52?,53?,55+,56+,57+,58?;36-,37-,38-,39+,40+,41+,42?,43?,44?,50?,51?,52?,54+,55+,56+,57?;15-,16+,17?,21?,22+;;9-,10+,11?,13?,14+;7-,8+,11?,12-,13?;;/m000.01../s1.

What are the key properties of [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate?

[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate has a molecular weight of 3991.03 g/mol, XLogP of 24.89, 126 rotatable bonds, 12 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 159342894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).