[(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane

C236H390O48 — CID 158481552

IUPAC[(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)OO[C@@H]3OC(CC)[C@@H](C)[C@H](C)C3O[C@@H]3OC(CC)[C@@H](C)[C@H](C)C3C)[C@H]2C)[C@@H](OC(C)=O)C(C)[C@H]1C.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)O[C@H]3OC(CC)[C@@H](C)[C@H](C)C3O)[C@H]2O)[C@@H](OC(C)=O)C(C)[C@H]1C.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)O[C@H]3OC(CC)[C@@H](C)[C@H](C)C3O[C@@H]3OC(CC)[C@@H](O[C@@H]4OC(COCc5ccccc5)[C@H](C)[C@H](C)C4OC(C)=O)C(C)C3C)[C@H]2C)[C@@H](OC(C)=O)C(C)[C@H]1C
InChIInChI=1S/C83H120O19.C67H100O15.C56H80O14.15C2H6/c1-18-65-48(5)51(8)76(102-79-56(13)54(11)71(67(20-3)95-79)99-82-75(92-60(17)85)52(9)49(6)68(96-82)45-86-41-61-33-25-21-26-34-61)80(93-65)90-58(15)70-57(14)73(101-81-74(91-59(16)84)50(7)47(4)66(19-2)94-81)77(88-43-63-37-29-23-30-38-63)83(98-70)100-72-53(10)55(12)78(89-44-64-39-31-24-32-40-64)97-69(72)46-87-42-62-35-27-22-28-36-62;1-16-53-39(5)38(4)45(11)64(73-53)80-61-43(9)41(7)55(18-3)75-67(61)82-81-48(14)57-47(13)59(79-65-60(72-49(15)68)42(8)40(6)54(17-2)74-65)62(70-35-51-30-24-20-25-31-51)66(77-57)78-58-44(10)46(12)63(71-36-52-32-26-21-27-33-52)76-56(58)37-69-34-50-28-22-19-23-29-50;1-11-43-32(3)34(5)46(58)54(65-43)63-38(9)50-47(59)51(70-55-49(64-39(10)57)35(6)33(4)44(12-2)66-55)52(61-29-41-24-18-14-19-25-41)56(69-50)68-48-36(7)37(8)53(62-30-42-26-20-15-21-27-42)67-45(48)31-60-28-40-22-16-13-17-23-40;15*1-2/h21-40,47-58,65-83H,18-20,41-46H2,1-17H3;19-33,38-48,53-67H,16-18,34-37H2,1-15H3;13-27,32-38,43-56,58-59H,11-12,28-31H2,1-10H3;15*1-2H3/t47-,48+,49-,50?,51+,52+,53-,54?,55?,56?,57-,58?,65?,66?,67?,68?,69?,70?,71+,72+,73+,74+,75?,76?,77?,78-,79+,80+,81+,82+,83+;38-,39-,40+,41-,42?,43-,44+,45?,46?,47+,48?,53?,54?,55?,56?,57?,58-,59-,60-,61?,62?,63+,64-,65-,66-,67-;32-,33+,34-,35?,36+,37?,38?,43?,44?,45?,46?,47+,48-,49-,50?,51-,52?,53+,54-,55-,56+;;;;;;;;;;;;;;;/m100.............../s1
InChIKeyHHOQFASKHIVJGW-BVQOIALMSA-N
MW3995.67 g/mol
LogP51.02
Rot. Bonds74

About [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane

[(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane (PubChem CID 158481552) has the molecular formula C236H390O48 and a molecular weight of 3995.67 g/mol. Its IUPAC name is [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane.

Molecular Properties

Compound Name[(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane
PubChem CID158481552
Molecular FormulaC236H390O48
Molecular Weight3995.67 g/mol
Exact Mass3992.81
IUPAC Name[(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)OO[C@@H]3OC(CC)[C@@H](C)[C@H](C)C3O[C@@H]3OC(CC)[C@@H](C)[C@H](C)C3C)[C@H]2C)[C@@H](OC(C)=O)C(C)[C@H]1C.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)O[C@H]3OC(CC)[C@@H](C)[C@H](C)C3O)[C@H]2O)[C@@H](OC(C)=O)C(C)[C@H]1C.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)O[C@H]3OC(CC)[C@@H](C)[C@H](C)C3O[C@@H]3OC(CC)[C@@H](O[C@@H]4OC(COCc5ccccc5)[C@H](C)[C@H](C)C4OC(C)=O)C(C)C3C)[C@H]2C)[C@@H](OC(C)=O)C(C)[C@H]1C
InChIInChI=1S/C83H120O19.C67H100O15.C56H80O14.15C2H6/c1-18-65-48(5)51(8)76(102-79-56(13)54(11)71(67(20-3)95-79)99-82-75(92-60(17)85)52(9)49(6)68(96-82)45-86-41-61-33-25-21-26-34-61)80(93-65)90-58(15)70-57(14)73(101-81-74(91-59(16)84)50(7)47(4)66(19-2)94-81)77(88-43-63-37-29-23-30-38-63)83(98-70)100-72-53(10)55(12)78(89-44-64-39-31-24-32-40-64)97-69(72)46-87-42-62-35-27-22-28-36-62;1-16-53-39(5)38(4)45(11)64(73-53)80-61-43(9)41(7)55(18-3)75-67(61)82-81-48(14)57-47(13)59(79-65-60(72-49(15)68)42(8)40(6)54(17-2)74-65)62(70-35-51-30-24-20-25-31-51)66(77-57)78-58-44(10)46(12)63(71-36-52-32-26-21-27-33-52)76-56(58)37-69-34-50-28-22-19-23-29-50;1-11-43-32(3)34(5)46(58)54(65-43)63-38(9)50-47(59)51(70-55-49(64-39(10)57)35(6)33(4)44(12-2)66-55)52(61-29-41-24-18-14-19-25-41)56(69-50)68-48-36(7)37(8)53(62-30-42-26-20-15-21-27-42)67-45(48)31-60-28-40-22-16-13-17-23-40;15*1-2/h21-40,47-58,65-83H,18-20,41-46H2,1-17H3;19-33,38-48,53-67H,16-18,34-37H2,1-15H3;13-27,32-38,43-56,58-59H,11-12,28-31H2,1-10H3;15*1-2H3/t47-,48+,49-,50?,51+,52+,53-,54?,55?,56?,57-,58?,65?,66?,67?,68?,69?,70?,71+,72+,73+,74+,75?,76?,77?,78-,79+,80+,81+,82+,83+;38-,39-,40+,41-,42?,43-,44+,45?,46?,47+,48?,53?,54?,55?,56?,57?,58-,59-,60-,61?,62?,63+,64-,65-,66-,67-;32-,33+,34-,35?,36+,37?,38?,43?,44?,45?,46?,47+,48-,49-,50?,51-,52?,53+,54-,55-,56+;;;;;;;;;;;;;;;/m100.............../s1
InChIKeyHHOQFASKHIVJGW-BVQOIALMSA-N
XLogP51.02
TPSA496.40 Ų
H-Bond Donors2
H-Bond Acceptors48
Rotatable Bonds74
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003995.67
LogP ≤ 551.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1048

Analyze [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane with MolForge

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Launch Full Analysis

Related Compounds

[(2S,4R,5R)-2-[(3R,4S,6S)-2-[[(2S,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxymethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,4R,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxymethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,4R,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxymethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 159097447
[(2S,3S,5R)-2-[(3S,5S,6S)-6-[(2S,3R,5S)-2-[[(3R,5R,6R)-6-[(3S,5S,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-[(2S,4R,5R)-6-ethyl-3-[(2S,3S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxy-5-phenylmethoxyoxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 118546671
[(2S,4R,5R)-2-[(3R,4S,6S)-2-[[(2S,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxymethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 118551276
[(2R,4S,5S)-2-[(2S,4S,5S)-2-[[(3R,4S,6R)-4-[(2R,5S,6S)-3-[(2R,5S,6S)-3-acetyloxy-6-ethyl-4,5-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxy-3,6-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 149022100
[(3S,4S,6S)-5-acetyloxy-6-[(2S,4S,5S)-3-acetyloxy-2-[(3S,4S,6S)-5-acetyloxy-2-(acetyloxymethyl)-6-[(2R,4S,5R)-6-ethyl-4,5-dimethyl-2-phenylmethoxyoxan-3-yl]oxy-3-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-methyloxan-4-yl]oxy-4-[(2S,4S,5R)-3-acetyloxy-6-ethyl-4,5-dimethyloxan-2-yl]oxy-3-methyloxan-2-yl]methyl acetate
CID 58283939
[(2S,3S,5R)-2-[(3S,5S,6S)-6-[(2S,3R,5S)-2-[[(3R,5R,6R)-4-[(2S,4R,5R)-3-[(2S,3S,5S)-5-[(2S,3S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxy-3-[[(4aS,6S,7R)-5,6-dimethyl-3-phenyl-5,6,7,8a-tetrahydro-4aH-pyrano[3,2-e][1,2,4]trioxin-7-yl]oxy]-6-[(3S,5S,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxyoxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] acetate;ethane;phenylmethanol
CID 157375272
(3S,4R,6R)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(2-azidoethoxy)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4-[(2R,5S)-6-ethyl-3-[(2S,4R,5S)-6-ethyl-3,4-dimethyl-5-[(2S,4S,5R)-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-2-[[(2S,4S,5R)-4-[(2R,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-5-methyl-3-phenylmethoxyoxan-2-yl]oxymethyl]-5-methyloxan-3-ol
CID 160969851
[(4S,5S)-4-[(2S,4S,5S)-3-[(2S,4R)-3,6-dimethyl-5-phenylmethoxy-4-[(2S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,6-dimethyl-5-phenylmethoxyoxan-3-yl] acetate
CID 173478054
[(2S,3R,4S,5R)-2-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 101066091
[(2S,4S,5R)-2-[(3S,4R,6R)-4-butoxy-5,6-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-ethyl-4-methyloxolan-3-yl] acetate
CID 167680469
[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 102331110
N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide
CID 146032752

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane?
The IUPAC name of [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane (CID 158481552) is [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane.
What is the SMILES notation for [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane?
The canonical SMILES for [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)OO[C@@H]3OC(CC)[C@@H](C)[C@H](C)C3O[C@@H]3OC(CC)[C@@H](C)[C@H](C)C3C)[C@H]2C)[C@@H](OC(C)=O)C(C)[C@H]1C.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)O[C@H]3OC(CC)[C@@H](C)[C@H](C)C3O)[C@H]2O)[C@@H](OC(C)=O)C(C)[C@H]1C.CCC1O[C@@H](O[C@@H]2C(OCc3ccccc3)[C@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](OCc4ccccc4)C(C)[C@H]3C)OC(C(C)O[C@H]3OC(CC)[C@@H](C)[C@H](C)C3O[C@@H]3OC(CC)[C@@H](O[C@@H]4OC(COCc5ccccc5)[C@H](C)[C@H](C)C4OC(C)=O)C(C)C3C)[C@H]2C)[C@@H](OC(C)=O)C(C)[C@H]1C.
What is the InChIKey of [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane?
The InChIKey is HHOQFASKHIVJGW-BVQOIALMSA-N. The full InChI is InChI=1S/C83H120O19.C67H100O15.C56H80O14.15C2H6/c1-18-65-48(5)51(8)76(102-79-56(13)54(11)71(67(20-3)95-79)99-82-75(92-60(17)85)52(9)49(6)68(96-82)45-86-41-61-33-25-21-26-34-61)80(93-65)90-58(15)70-57(14)73(101-81-74(91-59(16)84)50(7)47(4)66(19-2)94-81)77(88-43-63-37-29-23-30-38-63)83(98-70)100-72-53(10)55(12)78(89-44-64-39-31-24-32-40-64)97-69(72)46-87-42-62-35-27-22-28-36-62;1-16-53-39(5)38(4)45(11)64(73-53)80-61-43(9)41(7)55(18-3)75-67(61)82-81-48(14)57-47(13)59(79-65-60(72-49(15)68)42(8)40(6)54(17-2)74-65)62(70-35-51-30-24-20-25-31-51)66(77-57)78-58-44(10)46(12)63(71-36-52-32-26-21-27-33-52)76-56(58)37-69-34-50-28-22-19-23-29-50;1-11-43-32(3)34(5)46(58)54(65-43)63-38(9)50-47(59)51(70-55-49(64-39(10)57)35(6)33(4)44(12-2)66-55)52(61-29-41-24-18-14-19-25-41)56(69-50)68-48-36(7)37(8)53(62-30-42-26-20-15-21-27-42)67-45(48)31-60-28-40-22-16-13-17-23-40;15*1-2/h21-40,47-58,65-83H,18-20,41-46H2,1-17H3;19-33,38-48,53-67H,16-18,34-37H2,1-15H3;13-27,32-38,43-56,58-59H,11-12,28-31H2,1-10H3;15*1-2H3/t47-,48+,49-,50?,51+,52+,53-,54?,55?,56?,57-,58?,65?,66?,67?,68?,69?,70?,71+,72+,73+,74+,75?,76?,77?,78-,79+,80+,81+,82+,83+;38-,39-,40+,41-,42?,43-,44+,45?,46?,47+,48?,53?,54?,55?,56?,57?,58-,59-,60-,61?,62?,63+,64-,65-,66-,67-;32-,33+,34-,35?,36+,37?,38?,43?,44?,45?,46?,47+,48-,49-,50?,51-,52?,53+,54-,55-,56+;;;;;;;;;;;;;;;/m100.............../s1.
What are the key properties of [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane?
[(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane has a molecular weight of 3995.67 g/mol, XLogP of 51.02, 74 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5R)-2-[(3R,4S,6S)-2-[1-[(2R,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxyethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]peroxyethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,3S,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[1-[(2R,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxyethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;ethane is sourced from PubChem (CID 158481552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).