(2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid)

C133H241NO70P6 — CID 161128921

About (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid)

(2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid) (PubChem CID 161128921) has the molecular formula C133H241NO70P6 and a molecular weight of 3160.17 g/mol. Its IUPAC name is (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid).

Molecular Properties

• Compound Name: (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid)
• PubChem CID: 161128921
• Molecular Formula: C133H241NO70P6
• Molecular Weight: 3160.17 g/mol
• Exact Mass: 3158.38
• IUPAC Name: (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid)
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C\CO[C@@H](COP(=O)(O)O[C@H]1OC(C(N)=O)[C@H](O)[C@H](O)C1O[C@@H]1OC(O)[C@@H](O)[C@H](O)C1C)C(=O)O.CC1[C@H](O[C@@H]2C(C)C(C)[C@@H](C)O[C@H]2OP(C)(=O)OC[C@H](C)C(=O)O)OC(CO)[C@@H](O)[C@@H]1C.CC1[C@H](O[C@@H]2C(C)C(C)[C@@H](C)O[C@H]2OP(C)(=O)OC[C@H](C)C(=O)O)OC(CO)[C@@H](O)[C@@H]1C.CC1[C@H](O[C@@H]2C(C)C(O)[C@@H](C)O[C@H]2OP(C)(=O)OC[C@H](C)C(=O)O)OC(CO)[C@@H](O)[C@@H]1C.CC1[C@H](O[C@@H]2C(C)C(O)[C@@H](CO)O[C@H]2OP(C)(=O)OC[C@H](C)C(=O)O)OC(CO)[C@@H](O)[C@@H]1C.CC[C@H]1O[C@@H](OP(C)(=O)OC[C@H](C)C(=O)O)[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](C)C2C)C(C)C1O
• InChI: InChI=1S/C30H50NO16P.C21H39O11P.2C21H39O10P.C20H37O12P.C20H37O11P/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-42-19(27(37)38)14-43-48(40,41)47-30-25(22(34)21(33)24(44-30)26(31)36)45-29-18(5)20(32)23(35)28(39)46-29;1-7-14-17(24)13(5)18(31-20-12(4)11(3)16(23)15(8-22)30-20)21(29-14)32-33(6,27)28-9-10(2)19(25)26;2*1-10(19(24)25)9-27-32(7,26)31-21-18(13(4)11(2)15(6)28-21)30-20-14(5)12(3)17(23)16(8-22)29-20;1-9(18(25)26)8-28-33(5,27)32-20-17(12(4)16(24)14(7-22)30-20)31-19-11(3)10(2)15(23)13(6-21)29-19;1-9(18(24)25)8-27-32(6,26)31-20-17(12(4)15(22)13(5)28-20)30-19-11(3)10(2)16(23)14(7-21)29-19/h8,10,12,18-25,28-30,32-35,39H,6-7,9,11,13-14H2,1-5H3,(H2,31,36)(H,37,38)(H,40,41);10-18,20-24H,7-9H2,1-6H3,(H,25,26);2*10-18,20-23H,8-9H2,1-7H3,(H,24,25);9-17,19-24H,6-8H2,1-5H3,(H,25,26);9-17,19-23H,7-8H2,1-6H3,(H,24,25)/b16-10+,17-12-;;;;;/t18?,19-,20+,21+,22-,23-,24?,25?,28?,29+,30+;10-,11+,12?,13?,14+,15?,16-,17?,18+,20-,21-,33?;2*10-,11?,12+,13?,14?,15+,16?,17-,18+,20-,21-,32?;9-,10+,11?,12?,13?,14+,15-,16?,17+,19-,20-,33?;9-,10+,11?,12?,13+,14?,15?,16-,17+,19-,20-,32?/m000000/s1
• InChIKey: ULXQWARYHYPMKH-BHCUCGRRSA-N
• XLogP: 7.47
• TPSA: 1060.04 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 63
• Rotatable Bonds: 65
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3160.17
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid)?

The IUPAC name of (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid) (CID 161128921) is (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid).

What is the SMILES notation for (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid)?

The canonical SMILES for (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid) is CC(C)=CCC/C(C)=C/CC/C(C)=C\CO[C@@H](COP(=O)(O)O[C@H]1OC(C(N)=O)[C@H](O)[C@H](O)C1O[C@@H]1OC(O)[C@@H](O)[C@H](O)C1C)C(=O)O.CC1[C@H](O[C@@H]2C(C)C(C)[C@@H](C)O[C@H]2OP(C)(=O)OC[C@H](C)C(=O)O)OC(CO)[C@@H](O)[C@@H]1C.CC1[C@H](O[C@@H]2C(C)C(C)[C@@H](C)O[C@H]2OP(C)(=O)OC[C@H](C)C(=O)O)OC(CO)[C@@H](O)[C@@H]1C.CC1[C@H](O[C@@H]2C(C)C(O)[C@@H](C)O[C@H]2OP(C)(=O)OC[C@H](C)C(=O)O)OC(CO)[C@@H](O)[C@@H]1C.CC1[C@H](O[C@@H]2C(C)C(O)[C@@H](CO)O[C@H]2OP(C)(=O)OC[C@H](C)C(=O)O)OC(CO)[C@@H](O)[C@@H]1C.CC[C@H]1O[C@@H](OP(C)(=O)OC[C@H](C)C(=O)O)[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](C)C2C)C(C)C1O.

What is the InChIKey of (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid)?

The InChIKey is ULXQWARYHYPMKH-BHCUCGRRSA-N. The full InChI is InChI=1S/C30H50NO16P.C21H39O11P.2C21H39O10P.C20H37O12P.C20H37O11P/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-42-19(27(37)38)14-43-48(40,41)47-30-25(22(34)21(33)24(44-30)26(31)36)45-29-18(5)20(32)23(35)28(39)46-29;1-7-14-17(24)13(5)18(31-20-12(4)11(3)16(23)15(8-22)30-20)21(29-14)32-33(6,27)28-9-10(2)19(25)26;2*1-10(19(24)25)9-27-32(7,26)31-21-18(13(4)11(2)15(6)28-21)30-20-14(5)12(3)17(23)16(8-22)29-20;1-9(18(25)26)8-28-33(5,27)32-20-17(12(4)16(24)14(7-22)30-20)31-19-11(3)10(2)15(23)13(6-21)29-19;1-9(18(24)25)8-27-32(6,26)31-20-17(12(4)15(22)13(5)28-20)30-19-11(3)10(2)16(23)14(7-21)29-19/h8,10,12,18-25,28-30,32-35,39H,6-7,9,11,13-14H2,1-5H3,(H2,31,36)(H,37,38)(H,40,41);10-18,20-24H,7-9H2,1-6H3,(H,25,26);2*10-18,20-23H,8-9H2,1-7H3,(H,24,25);9-17,19-24H,6-8H2,1-5H3,(H,25,26);9-17,19-23H,7-8H2,1-6H3,(H,24,25)/b16-10+,17-12-;;;;;/t18?,19-,20+,21+,22-,23-,24?,25?,28?,29+,30+;10-,11+,12?,13?,14+,15?,16-,17?,18+,20-,21-,33?;2*10-,11?,12+,13?,14?,15+,16?,17-,18+,20-,21-,32?;9-,10+,11?,12?,13?,14+,15-,16?,17+,19-,20-,33?;9-,10+,11?,12?,13+,14?,15?,16-,17+,19-,20-,32?/m000000/s1.

What are the key properties of (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid)?

(2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid) has a molecular weight of 3160.17 g/mol, XLogP of 7.47, 65 rotatable bonds, 27 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[[(2R,4S,5R)-6-carbamoyl-4,5-dihydroxy-3-[(2R,4R,5S)-4,5,6-trihydroxy-3-methyloxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid;(2S)-3-[[(2S,3R,6R)-6-ethyl-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;(2S)-3-[[(2S,3R,6R)-5-hydroxy-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid;bis((2S)-3-[[(2S,3R,6R)-3-[(2S,4R,5S)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]oxy-methylphosphoryl]oxy-2-methylpropanoic acid) is sourced from PubChem (CID 161128921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).