(Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide

C177H305N15O83 — CID 157436572

IUPAC(Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)NC1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(NC(C)=O)C5O)C(NC(C)=O)C4O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)OC(CO)C(O)C1O.CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1C(O)[C@H](O)C(CO)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(CO[C@@H]5OC(C)[C@@H](O)C(O)[C@H]5OC)O[C@@H](O)[C@@H](NC(C)=O)C4O)[C@@H](NC(C)=O)C3O)[C@@H](NC(C)=O)C2O)[C@@H](NC(C)=O)C1O.CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1C(O)[C@H](O)C(COC(C)=O)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(CO)O[C@@H](O)[C@@H](NC(C)=O)C4O)[C@@H](NC(C)=O)C3O)[C@@H](NC(C)=O)C2O)[C@@H](NC(C)=O)C1O
InChIInChI=1S/C63H109N5O30.C58H99N5O27.C56H97N5O26/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(77)68-41-47(80)46(79)34(24-69)91-59(41)95-53-35(25-70)92-60(42(49(53)82)65-31(4)74)96-54-36(26-71)93-61(43(50(54)83)66-32(5)75)97-55-37(27-72)94-62(44(51(55)84)67-33(6)76)98-56-38(90-58(86)40(48(56)81)64-30(3)73)28-88-63-57(87-7)52(85)45(78)29(2)89-63;1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-38(73)63-40-45(75)44(74)37(27-81-32(6)72)86-55(40)88-51-34(24-65)84-57(42(47(51)77)61-30(4)70)90-53-36(26-67)85-58(43(49(53)79)62-31(5)71)89-52-35(25-66)83-56(41(48(52)78)60-29(3)69)87-50-33(23-64)82-54(80)39(46(50)76)59-28(2)68;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(71)61-38-43(73)42(72)31(22-62)80-53(38)85-49-33(24-64)82-55(40(45(49)75)59-29(4)69)87-51-35(26-66)83-56(41(47(51)77)60-30(5)70)86-50-34(25-65)81-54(39(46(50)76)58-28(3)68)84-48-32(23-63)79-52(78)37(44(48)74)57-27(2)67/h13-14,29,34-38,40-63,69-72,78-86H,8-12,15-28H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,76)(H,68,77);12-13,33-37,39-58,64-67,74-80H,7-11,14-27H2,1-6H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71)(H,63,73);11-12,31-35,37-56,62-66,72-78H,6-10,13-26H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,71)/b14-13-;13-12-;12-11-/t29?,34?,35?,36?,37?,38?,40-,41-,42-,43-,44-,45+,46+,47?,48?,49?,50?,51?,52?,53+,54+,55+,56+,57+,58+,59-,60-,61-,62-,63+;33?,34?,35?,36?,37?,39-,40-,41-,42-,43-,44+,45?,46?,47?,48?,49?,50+,51+,52+,53+,54+,55-,56-,57-,58-;/m00./s1
InChIKeyBREDXBBNUHLTCL-IPXXDWDNSA-N
MW3971.41 g/mol
LogP-15.49
Rot. Bonds103

About (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide

(Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide (PubChem CID 157436572) has the molecular formula C177H305N15O83 and a molecular weight of 3971.41 g/mol. Its IUPAC name is (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide
PubChem CID157436572
Molecular FormulaC177H305N15O83
Molecular Weight3971.41 g/mol
Exact Mass3969.01
IUPAC Name(Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)NC1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(NC(C)=O)C5O)C(NC(C)=O)C4O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)OC(CO)C(O)C1O.CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1C(O)[C@H](O)C(CO)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(CO[C@@H]5OC(C)[C@@H](O)C(O)[C@H]5OC)O[C@@H](O)[C@@H](NC(C)=O)C4O)[C@@H](NC(C)=O)C3O)[C@@H](NC(C)=O)C2O)[C@@H](NC(C)=O)C1O.CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1C(O)[C@H](O)C(COC(C)=O)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(CO)O[C@@H](O)[C@@H](NC(C)=O)C4O)[C@@H](NC(C)=O)C3O)[C@@H](NC(C)=O)C2O)[C@@H](NC(C)=O)C1O
InChIInChI=1S/C63H109N5O30.C58H99N5O27.C56H97N5O26/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(77)68-41-47(80)46(79)34(24-69)91-59(41)95-53-35(25-70)92-60(42(49(53)82)65-31(4)74)96-54-36(26-71)93-61(43(50(54)83)66-32(5)75)97-55-37(27-72)94-62(44(51(55)84)67-33(6)76)98-56-38(90-58(86)40(48(56)81)64-30(3)73)28-88-63-57(87-7)52(85)45(78)29(2)89-63;1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-38(73)63-40-45(75)44(74)37(27-81-32(6)72)86-55(40)88-51-34(24-65)84-57(42(47(51)77)61-30(4)70)90-53-36(26-67)85-58(43(49(53)79)62-31(5)71)89-52-35(25-66)83-56(41(48(52)78)60-29(3)69)87-50-33(23-64)82-54(80)39(46(50)76)59-28(2)68;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(71)61-38-43(73)42(72)31(22-62)80-53(38)85-49-33(24-64)82-55(40(45(49)75)59-29(4)69)87-51-35(26-66)83-56(41(47(51)77)60-30(5)70)86-50-34(25-65)81-54(39(46(50)76)58-28(3)68)84-48-32(23-63)79-52(78)37(44(48)74)57-27(2)67/h13-14,29,34-38,40-63,69-72,78-86H,8-12,15-28H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,76)(H,68,77);12-13,33-37,39-58,64-67,74-80H,7-11,14-27H2,1-6H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71)(H,63,73);11-12,31-35,37-56,62-66,72-78H,6-10,13-26H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,71)/b14-13-;13-12-;12-11-/t29?,34?,35?,36?,37?,38?,40-,41-,42-,43-,44-,45+,46+,47?,48?,49?,50?,51?,52?,53+,54+,55+,56+,57+,58+,59-,60-,61-,62-,63+;33?,34?,35?,36?,37?,39-,40-,41-,42-,43-,44+,45?,46?,47?,48?,49?,50+,51+,52+,53+,54+,55-,56-,57-,58-;/m00./s1
InChIKeyBREDXBBNUHLTCL-IPXXDWDNSA-N
XLogP-15.49
TPSA1467.98 Ų
H-Bond Donors51
H-Bond Acceptors83
Rotatable Bonds103
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003971.41
LogP ≤ 5-15.49
H-Bond Donors ≤ 551
H-Bond Acceptors ≤ 1083

Analyze (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-2-[[(2R,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide
CID 102425932
(E)-N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-10-enamide
CID 155646108
N-[(2S,4R,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide
CID 157116011
N-[(2S,4R,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide
CID 155646095
N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6R)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide
CID 140918361
[5-acetamido-3-[3-acetamido-5-[3-acetamido-5-[3-[[(Z)-hexadec-9-enoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 130314709
[(2R,3S,4R,5R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(Z)-octadec-9-enoyl]amino]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 50925129
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide
CID 91855629
N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-[(Z)-undec-4-enoxy]benzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-2-[[(2R,3R,4S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide;N-[(3S,4R,5S)-2-[(2S,3S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S)-5-acetamido-6-[(4R,5S)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide
CID 159083941
(Z)-N-[(2S,4R,5S)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]pentadec-11-enamide
CID 165377986
(Z)-N-[(2R,4R,5S)-5-[(2S,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-12-(3-butyloxiran-2-yl)dodec-10-enamide
CID 118477653
N-[(2S,4R,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6S)-5-acetamido-6-[(2S,3S,6S)-5-acetamido-6-[(4R,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undecoxybenzamide
CID 153454994

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide?
The IUPAC name of (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide (CID 157436572) is (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide.
What is the SMILES notation for (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide?
The canonical SMILES for (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide is CCCCCC/C=C\CCCCCCCCCC(=O)NC1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(NC(C)=O)C5O)C(NC(C)=O)C4O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)OC(CO)C(O)C1O.CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1C(O)[C@H](O)C(CO)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(CO[C@@H]5OC(C)[C@@H](O)C(O)[C@H]5OC)O[C@@H](O)[C@@H](NC(C)=O)C4O)[C@@H](NC(C)=O)C3O)[C@@H](NC(C)=O)C2O)[C@@H](NC(C)=O)C1O.CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1C(O)[C@H](O)C(COC(C)=O)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(CO)O[C@@H](O)[C@@H](NC(C)=O)C4O)[C@@H](NC(C)=O)C3O)[C@@H](NC(C)=O)C2O)[C@@H](NC(C)=O)C1O.
What is the InChIKey of (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide?
The InChIKey is BREDXBBNUHLTCL-IPXXDWDNSA-N. The full InChI is InChI=1S/C63H109N5O30.C58H99N5O27.C56H97N5O26/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(77)68-41-47(80)46(79)34(24-69)91-59(41)95-53-35(25-70)92-60(42(49(53)82)65-31(4)74)96-54-36(26-71)93-61(43(50(54)83)66-32(5)75)97-55-37(27-72)94-62(44(51(55)84)67-33(6)76)98-56-38(90-58(86)40(48(56)81)64-30(3)73)28-88-63-57(87-7)52(85)45(78)29(2)89-63;1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-38(73)63-40-45(75)44(74)37(27-81-32(6)72)86-55(40)88-51-34(24-65)84-57(42(47(51)77)61-30(4)70)90-53-36(26-67)85-58(43(49(53)79)62-31(5)71)89-52-35(25-66)83-56(41(48(52)78)60-29(3)69)87-50-33(23-64)82-54(80)39(46(50)76)59-28(2)68;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(71)61-38-43(73)42(72)31(22-62)80-53(38)85-49-33(24-64)82-55(40(45(49)75)59-29(4)69)87-51-35(26-66)83-56(41(47(51)77)60-30(5)70)86-50-34(25-65)81-54(39(46(50)76)58-28(3)68)84-48-32(23-63)79-52(78)37(44(48)74)57-27(2)67/h13-14,29,34-38,40-63,69-72,78-86H,8-12,15-28H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,76)(H,68,77);12-13,33-37,39-58,64-67,74-80H,7-11,14-27H2,1-6H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71)(H,63,73);11-12,31-35,37-56,62-66,72-78H,6-10,13-26H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,71)/b14-13-;13-12-;12-11-/t29?,34?,35?,36?,37?,38?,40-,41-,42-,43-,44-,45+,46+,47?,48?,49?,50?,51?,52?,53+,54+,55+,56+,57+,58+,59-,60-,61-,62-,63+;33?,34?,35?,36?,37?,39-,40-,41-,42-,43-,44+,45?,46?,47?,48?,49?,50+,51+,52+,53+,54+,55-,56-,57-,58-;/m00./s1.
What are the key properties of (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide?
(Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide has a molecular weight of 3971.41 g/mol, XLogP of -15.49, 103 rotatable bonds, 51 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide;[(3S,5S,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-[[(Z)-octadec-11-enoyl]amino]oxan-2-yl]methyl acetate;(Z)-N-[(2S,3S,5S)-2-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-5-acetamido-2-[[(2R,3R,5S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-4,6-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide is sourced from PubChem (CID 157436572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).