[6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate

C99H153N17O46S — CID 156595627

About [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate

[6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate (PubChem CID 156595627) has the molecular formula C99H153N17O46S and a molecular weight of 2349.45 g/mol. Its IUPAC name is [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate.

Molecular Properties

• Compound Name: [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate
• PubChem CID: 156595627
• Molecular Formula: C99H153N17O46S
• Molecular Weight: 2349.45 g/mol
• Exact Mass: 2347.99
• IUPAC Name: [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate
• SMILES: CC[N+]1=c2cc3c(cc2CCC1)=Nc1cc2c(cc1O3)N(CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCn1cc(CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)nn1)NC(=O)CNC(=O)COCCOCCNC(=O)[C@H](CCCCn1cc(CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)nn1)NC(C)=O)C(N)=O)C(C)(C)CC2CS(=O)(=O)[O-]
• InChI: InChI=1S/C99H153N17O46S/c1-5-113-21-12-14-48-28-56-60(30-58(48)113)154-61-31-59-52(29-57(61)106-56)49(46-163(145,146)147)32-99(3,4)116(59)24-13-18-68(122)101-19-9-6-15-53(90(100)142)107-70(124)34-104-92(144)55(17-8-11-23-115-36-51(110-112-115)42-151-96-87(141)89(162-98-85(139)81(135)75(129)65(40-120)158-98)77(131)67(160-96)44-153-94-83(137)79(133)73(127)63(38-118)156-94)108-69(123)33-103-71(125)45-149-27-26-148-25-20-102-91(143)54(105-47(2)121)16-7-10-22-114-35-50(109-111-114)41-150-95-86(140)88(161-97-84(138)80(134)74(128)64(39-119)157-97)76(130)66(159-95)43-152-93-82(136)78(132)72(126)62(37-117)155-93/h28-31,35-36,49,53-55,62-67,72-89,93-98,117-120,126-141H,5-27,32-34,37-46H2,1-4H3,(H9-,100,101,102,103,104,105,107,108,121,122,123,124,125,142,143,144,145,146,147)/t49?,53-,54-,55-,62+,63+,64+,65+,66+,67+,72+,73+,74+,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,93-,94-,95-,96-,97+,98+/m0/s1
• InChIKey: RSXQMIOXTKZHKQ-PTHPWSDMSA-N
• XLogP: -14.92
• TPSA: 927.07 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 54
• Rotatable Bonds: 60
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2349.45
LogP ≤ 5	-14.92
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate?

The IUPAC name of [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate (CID 156595627) is [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate.

What is the SMILES notation for [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate?

The canonical SMILES for [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate is CC[N+]1=c2cc3c(cc2CCC1)=Nc1cc2c(cc1O3)N(CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCn1cc(CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)nn1)NC(=O)CNC(=O)COCCOCCNC(=O)[C@H](CCCCn1cc(CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)nn1)NC(C)=O)C(N)=O)C(C)(C)CC2CS(=O)(=O)[O-].

What is the InChIKey of [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate?

The InChIKey is RSXQMIOXTKZHKQ-PTHPWSDMSA-N. The full InChI is InChI=1S/C99H153N17O46S/c1-5-113-21-12-14-48-28-56-60(30-58(48)113)154-61-31-59-52(29-57(61)106-56)49(46-163(145,146)147)32-99(3,4)116(59)24-13-18-68(122)101-19-9-6-15-53(90(100)142)107-70(124)34-104-92(144)55(17-8-11-23-115-36-51(110-112-115)42-151-96-87(141)89(162-98-85(139)81(135)75(129)65(40-120)158-98)77(131)67(160-96)44-153-94-83(137)79(133)73(127)63(38-118)156-94)108-69(123)33-103-71(125)45-149-27-26-148-25-20-102-91(143)54(105-47(2)121)16-7-10-22-114-35-50(109-111-114)41-150-95-86(140)88(161-97-84(138)80(134)74(128)64(39-119)157-97)76(130)66(159-95)43-152-93-82(136)78(132)72(126)62(37-117)155-93/h28-31,35-36,49,53-55,62-67,72-89,93-98,117-120,126-141H,5-27,32-34,37-46H2,1-4H3,(H9-,100,101,102,103,104,105,107,108,121,122,123,124,125,142,143,144,145,146,147)/t49?,53-,54-,55-,62+,63+,64+,65+,66+,67+,72+,73+,74+,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,93-,94-,95-,96-,97+,98+/m0/s1.

What are the key properties of [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate?

[6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate has a molecular weight of 2349.45 g/mol, XLogP of -14.92, 60 rotatable bonds, 28 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[4-[[(5S)-5-[[2-[[(2S)-2-[[2-[[2-[2-[2-[[(2S)-2-acetamido-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-6-[4-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]triazol-1-yl]hexanoyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-4-oxobutyl]-20-ethyl-7,7-dimethyl-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-9-yl]methanesulfonate is sourced from PubChem (CID 156595627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).