[(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate

C96H174O26 — CID 162813182

IUPAC[(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H]3O)[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)O[C@@H]1CO
InChIInChI=1S/C96H174O26/c1-9-13-17-20-23-26-29-32-33-36-39-41-46-51-57-63-74(99)116-87-72(66-97)114-93(82(107)80(87)105)122-90-86(120-92-81(106)79(104)84(68(6)110-92)115-73(98)62-56-50-45-40-37-34-30-27-24-21-18-14-10-2)70(8)112-96(91(90)118-76(101)65-59-52-47-42-38-35-31-28-25-22-19-15-11-3)119-85-69(7)111-95-89(83(85)108)117-75(100)64-58-53-48-43-44-49-55-61-71(60-54-16-12-4)113-94-88(121-95)78(103)77(102)67(5)109-94/h67-72,77-97,102-108H,9-66H2,1-8H3/t67-,68+,69+,70+,71+,72-,77+,78+,79+,80-,81-,82-,83-,84+,85+,86+,87-,88-,89-,90-,91-,92+,93+,94+,95+,96+/m1/s1
InChIKeyWSALUHZEZAFPKH-OKLCEPNPSA-N
MW1744.42 g/mol
LogP17.11
Rot. Bonds58

About [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate

[(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate (PubChem CID 162813182) has the molecular formula C96H174O26 and a molecular weight of 1744.42 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate
PubChem CID162813182
Molecular FormulaC96H174O26
Molecular Weight1744.42 g/mol
Exact Mass1743.23
IUPAC Name[(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H]3O)[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)O[C@@H]1CO
InChIInChI=1S/C96H174O26/c1-9-13-17-20-23-26-29-32-33-36-39-41-46-51-57-63-74(99)116-87-72(66-97)114-93(82(107)80(87)105)122-90-86(120-92-81(106)79(104)84(68(6)110-92)115-73(98)62-56-50-45-40-37-34-30-27-24-21-18-14-10-2)70(8)112-96(91(90)118-76(101)65-59-52-47-42-38-35-31-28-25-22-19-15-11-3)119-85-69(7)111-95-89(83(85)108)117-75(100)64-58-53-48-43-44-49-55-61-71(60-54-16-12-4)113-94-88(121-95)78(103)77(102)67(5)109-94/h67-72,77-97,102-108H,9-66H2,1-8H3/t67-,68+,69+,70+,71+,72-,77+,78+,79+,80-,81-,82-,83-,84+,85+,86+,87-,88-,89-,90-,91-,92+,93+,94+,95+,96+/m1/s1
InChIKeyWSALUHZEZAFPKH-OKLCEPNPSA-N
XLogP17.11
TPSA359.34 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds58
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.42
LogP ≤ 517.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

[(2S,3R,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-5-decanoyloxy-2-methyl-6-[[(1S,3R,5S,6R,7R,8R,20R,22R,24S,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] decanoate
CID 162870172
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-decanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] decanoate
CID 14284696
[(2R,3S,4S,5S,6S)-5-[(2S,3R,4R,5R,6S)-5-decanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7S,8R,20S,22S,24R,25S,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate
CID 162821353
[6-[5-decanoyloxy-2-methyl-6-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] dodecanoate
CID 162813916
[6-methyl-2-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] dodecanoate
CID 162879575
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-decanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] dodecanoate
CID 177398327
[5-[3,4-dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate
CID 85125602
[(2R,3S,4R,5S,6S)-5-[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R)-2-methylbutanoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1S,3R,5S,6R,7R,8R,20R,22R,24S,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] decanoate
CID 163041683
[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-octanoyloxyoxan-2-yl]oxy-6-methyl-2-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] decanoate
CID 118716659
[2-[5-hexadecanoyloxy-3-(5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-methyl-6-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] octadecanoate
CID 162966658
[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5R,6S)-5-acetyloxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl] dodecanoate
CID 162850820
[5-[3,4-dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-propyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] decanoate
CID 85150766

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate?
The IUPAC name of [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate (CID 162813182) is [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate.
What is the SMILES notation for [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate?
The canonical SMILES for [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate is CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H]3O)[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)O[C@@H]1CO.
What is the InChIKey of [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate?
The InChIKey is WSALUHZEZAFPKH-OKLCEPNPSA-N. The full InChI is InChI=1S/C96H174O26/c1-9-13-17-20-23-26-29-32-33-36-39-41-46-51-57-63-74(99)116-87-72(66-97)114-93(82(107)80(87)105)122-90-86(120-92-81(106)79(104)84(68(6)110-92)115-73(98)62-56-50-45-40-37-34-30-27-24-21-18-14-10-2)70(8)112-96(91(90)118-76(101)65-59-52-47-42-38-35-31-28-25-22-19-15-11-3)119-85-69(7)111-95-89(83(85)108)117-75(100)64-58-53-48-43-44-49-55-61-71(60-54-16-12-4)113-94-88(121-95)78(103)77(102)67(5)109-94/h67-72,77-97,102-108H,9-66H2,1-8H3/t67-,68+,69+,70+,71+,72-,77+,78+,79+,80-,81-,82-,83-,84+,85+,86+,87-,88-,89-,90-,91-,92+,93+,94+,95+,96+/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate?
[(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate has a molecular weight of 1744.42 g/mol, XLogP of 17.11, 58 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-hexadecanoyloxy-3-[(2S,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] octadecanoate is sourced from PubChem (CID 162813182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).