(2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide

C176H355FN2O102 — CID 158820563

About (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide

(2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide (PubChem CID 158820563) has the molecular formula C176H355FN2O102 and a molecular weight of 4150.69 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide
• PubChem CID: 158820563
• Molecular Formula: C176H355FN2O102
• Molecular Weight: 4150.69 g/mol
• Exact Mass: 4148.26
• IUPAC Name: (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide
• SMILES: CC(=O)N[C@@H](CC(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)N[C@@H](CC(C)(C)C)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO.CC(C)(C)C[C@@H](O)[C@@H](O)[C@H](O)CO.CC(C)(C)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(C)(C)C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.CC(C)(C)C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO.CC(C)(C)C[C@H](O)[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.CC(C)(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CF.CC(C)(C)C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.CC(C)(C)C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C(O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.CC(C)(C)C[C@H](O)[C@H](O)[C@@H](O)CO.CC(C)(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
• InChI: InChI=1S/C46H82O35.C18H35NO10.2C16H32O10.C12H25NO5.C10H21FO4.4C10H22O5.2C9H20O4/c1-46(2,3)4-12(54)20(56)34(13(55)5-47)76-41-29(65)23(59)36(15(7-49)71-41)78-43-31(67)25(61)38(17(9-51)73-43)80-45-33(69)27(63)39(19(11-53)75-45)81-44-32(68)26(62)37(18(10-52)74-44)79-42-30(66)24(60)35(16(8-50)72-42)77-40-28(64)22(58)21(57)14(6-48)70-40;1-8(22)19-9(5-18(2,3)4)16(12(24)10(23)6-20)29-17-15(27)14(26)13(25)11(7-21)28-17;2*1-16(2,3)4-7(19)10(21)14(8(20)5-17)26-15-13(24)12(23)11(22)9(6-18)25-15;1-7(15)13-8(5-12(2,3)4)10(17)11(18)9(16)6-14;5*1-10(2,3)4-6(12)8(14)9(15)7(13)5-11;2*1-9(2,3)4-6(11)8(13)7(12)5-10/h12-45,47-69H,4-11H2,1-3H3;9-17,20-21,23-27H,5-7H2,1-4H3,(H,19,22);2*7-15,17-24H,4-6H2,1-3H3;8-11,14,16-18H,5-6H2,1-4H3,(H,13,15);6-9,12-15H,4-5H2,1-3H3;4*6-9,11-15H,4-5H2,1-3H3;2*6-8,10-13H,4-5H2,1-3H3/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23+,24+,25?,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+;9-,10+,11+,12-,13-,14-,15+,16+,17-;7-,8+,9+,10+,11-,12-,13+,14+,15-;7-,8+,9+,10+,11-,12-,13+,14-,15+;8-,9+,10+,11+;2*6-,7+,8+,9+;6-,7+,8+,9-;2*6-,7-,8-,9-;2*6-,7-,8-/m000000111010/s1
• InChIKey: IVUVMANCGZGGHU-BCXXUHERSA-N
• XLogP: -30.74
• TPSA: 1883.20 Ų
• H-Bond Donors: 84
• H-Bond Acceptors: 102
• Rotatable Bonds: 87
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4150.69
LogP ≤ 5	-30.74
H-Bond Donors ≤ 5	84
H-Bond Acceptors ≤ 10	102

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide?

The IUPAC name of (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide (CID 158820563) is (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide.

What is the SMILES notation for (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide?

The canonical SMILES for (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide is CC(=O)N[C@@H](CC(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)N[C@@H](CC(C)(C)C)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO.CC(C)(C)C[C@@H](O)[C@@H](O)[C@H](O)CO.CC(C)(C)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(C)(C)C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.CC(C)(C)C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO.CC(C)(C)C[C@H](O)[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.CC(C)(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CF.CC(C)(C)C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.CC(C)(C)C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C(O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.CC(C)(C)C[C@H](O)[C@H](O)[C@@H](O)CO.CC(C)(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.

What is the InChIKey of (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide?

The InChIKey is IVUVMANCGZGGHU-BCXXUHERSA-N. The full InChI is InChI=1S/C46H82O35.C18H35NO10.2C16H32O10.C12H25NO5.C10H21FO4.4C10H22O5.2C9H20O4/c1-46(2,3)4-12(54)20(56)34(13(55)5-47)76-41-29(65)23(59)36(15(7-49)71-41)78-43-31(67)25(61)38(17(9-51)73-43)80-45-33(69)27(63)39(19(11-53)75-45)81-44-32(68)26(62)37(18(10-52)74-44)79-42-30(66)24(60)35(16(8-50)72-42)77-40-28(64)22(58)21(57)14(6-48)70-40;1-8(22)19-9(5-18(2,3)4)16(12(24)10(23)6-20)29-17-15(27)14(26)13(25)11(7-21)28-17;2*1-16(2,3)4-7(19)10(21)14(8(20)5-17)26-15-13(24)12(23)11(22)9(6-18)25-15;1-7(15)13-8(5-12(2,3)4)10(17)11(18)9(16)6-14;5*1-10(2,3)4-6(12)8(14)9(15)7(13)5-11;2*1-9(2,3)4-6(11)8(13)7(12)5-10/h12-45,47-69H,4-11H2,1-3H3;9-17,20-21,23-27H,5-7H2,1-4H3,(H,19,22);2*7-15,17-24H,4-6H2,1-3H3;8-11,14,16-18H,5-6H2,1-4H3,(H,13,15);6-9,12-15H,4-5H2,1-3H3;4*6-9,11-15H,4-5H2,1-3H3;2*6-8,10-13H,4-5H2,1-3H3/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23+,24+,25?,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+;9-,10+,11+,12-,13-,14-,15+,16+,17-;7-,8+,9+,10+,11-,12-,13+,14+,15-;7-,8+,9+,10+,11-,12-,13+,14-,15+;8-,9+,10+,11+;2*6-,7+,8+,9+;6-,7+,8+,9-;2*6-,7-,8-,9-;2*6-,7-,8-/m000000111010/s1.

What are the key properties of (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide?

(2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide has a molecular weight of 4150.69 g/mol, XLogP of -30.74, 87 rotatable bonds, 84 hydrogen bond donors, and 102 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7-dimethyloctane-1,2,4,5-tetrol;(2R,3R,4R)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S)-6,6-dimethylheptane-1,2,3,4-tetrol;(2S,3S,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3R,4S,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5R)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3R,4R,5S)-7,7-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2R,3S,4R,5S)-7,7-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctane-1,2,4,5-tetrol;(2S,3S,4R,5S)-1-fluoro-7,7-dimethyloctane-2,3,4,5-tetrol;N-[(4S,5R,6S,7R)-5,6,7,8-tetrahydroxy-2,2-dimethyloctan-4-yl]acetamide;N-[(4S,5R,6S,7R)-6,7,8-trihydroxy-2,2-dimethyl-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-4-yl]acetamide is sourced from PubChem (CID 158820563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).