3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid

C96H154Cl3N5O42 — CID 100994346

IUPAC3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid
SMILESCC1CCC(O)CC(O)CC(O)CC=CC(=O)OC(C(C)C(O)C(C)C(O)C(C)C(C)O[C@H]2C[C@@H](OC(=O)c3cc[n+]([O-])c(C(=O)O)c3N)[C@H](NC(=O)c3c(Cl)c(Cl)c(Cl)n3C)[C@@H](C)O2)C(C)C2OC2C(O)CCCC(O)C(C)C(O)CC(O)C(C)[C@H]2C[C@H](O)[C@@H](O)[C@@](O)(CC1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H]3O)[C@H](O[C@H]3C[C@@H](O)[C@H](N)[C@@H](C)O3)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)O2
InChIInChI=1S/C96H154Cl3N5O42/c1-34-22-23-49(106)27-50(107)26-48(105)18-16-21-62(115)140-81(39(6)74(117)38(5)73(116)35(2)41(8)131-65-32-60(138-92(128)51-24-25-104(130)72(69(51)101)91(126)127)70(43(10)133-65)102-90(125)71-66(97)67(98)89(99)103(71)15)40(7)82-84(143-82)53(109)20-17-19-52(108)36(3)54(110)28-55(111)37(4)59-29-58(114)88(124)96(129,146-59)33-61(34)139-95-87(145-93-79(122)78(121)76(119)45(12)135-93)86(142-63-30-56(112)68(100)42(9)132-63)83(47(14)137-95)144-94-80(123)85(77(120)46(13)136-94)141-64-31-57(113)75(118)44(11)134-64/h16,21,24-25,34-50,52-61,63-65,68,70,73-88,93-95,105-114,116-124,129H,17-20,22-23,26-33,100-101H2,1-15H3,(H,102,125)(H,126,127)/t34?,35?,36?,37?,38?,39?,40?,41?,42-,43-,44-,45-,46-,47-,48?,49?,50?,52?,53?,54?,55?,56-,57-,58+,59-,60-,61?,63+,64+,65-,68-,70-,73?,74?,75-,76-,77-,78+,79-,80-,81?,82?,83-,84?,85+,86+,87-,88-,93+,94+,95+,96-/m1/s1
InChIKeyIHYJOPDXBQFMAW-AMOQXEQXSA-N
MW2156.64 g/mol
LogP-1.54
Rot. Bonds23

About 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid

3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid (PubChem CID 100994346) has the molecular formula C96H154Cl3N5O42 and a molecular weight of 2156.64 g/mol. Its IUPAC name is 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid
PubChem CID100994346
Molecular FormulaC96H154Cl3N5O42
Molecular Weight2156.64 g/mol
Exact Mass2153.91
IUPAC Name3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid
SMILESCC1CCC(O)CC(O)CC(O)CC=CC(=O)OC(C(C)C(O)C(C)C(O)C(C)C(C)O[C@H]2C[C@@H](OC(=O)c3cc[n+]([O-])c(C(=O)O)c3N)[C@H](NC(=O)c3c(Cl)c(Cl)c(Cl)n3C)[C@@H](C)O2)C(C)C2OC2C(O)CCCC(O)C(C)C(O)CC(O)C(C)[C@H]2C[C@H](O)[C@@H](O)[C@@](O)(CC1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H]3O)[C@H](O[C@H]3C[C@@H](O)[C@H](N)[C@@H](C)O3)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)O2
InChIInChI=1S/C96H154Cl3N5O42/c1-34-22-23-49(106)27-50(107)26-48(105)18-16-21-62(115)140-81(39(6)74(117)38(5)73(116)35(2)41(8)131-65-32-60(138-92(128)51-24-25-104(130)72(69(51)101)91(126)127)70(43(10)133-65)102-90(125)71-66(97)67(98)89(99)103(71)15)40(7)82-84(143-82)53(109)20-17-19-52(108)36(3)54(110)28-55(111)37(4)59-29-58(114)88(124)96(129,146-59)33-61(34)139-95-87(145-93-79(122)78(121)76(119)45(12)135-93)86(142-63-30-56(112)68(100)42(9)132-63)83(47(14)137-95)144-94-80(123)85(77(120)46(13)136-94)141-64-31-57(113)75(118)44(11)134-64/h16,21,24-25,34-50,52-61,63-65,68,70,73-88,93-95,105-114,116-124,129H,17-20,22-23,26-33,100-101H2,1-15H3,(H,102,125)(H,126,127)/t34?,35?,36?,37?,38?,39?,40?,41?,42-,43-,44-,45-,46-,47-,48?,49?,50?,52?,53?,54?,55?,56-,57-,58+,59-,60-,61?,63+,64+,65-,68-,70-,73?,74?,75-,76-,77-,78+,79-,80-,81?,82?,83-,84?,85+,86+,87-,88-,93+,94+,95+,96-/m1/s1
InChIKeyIHYJOPDXBQFMAW-AMOQXEQXSA-N
XLogP-1.54
TPSA740.03 Ų
H-Bond Donors24
H-Bond Acceptors44
Rotatable Bonds23
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.64
LogP ≤ 5-1.54
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid?
The IUPAC name of 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid (CID 100994346) is 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid?
The canonical SMILES for 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid is CC1CCC(O)CC(O)CC(O)CC=CC(=O)OC(C(C)C(O)C(C)C(O)C(C)C(C)O[C@H]2C[C@@H](OC(=O)c3cc[n+]([O-])c(C(=O)O)c3N)[C@H](NC(=O)c3c(Cl)c(Cl)c(Cl)n3C)[C@@H](C)O2)C(C)C2OC2C(O)CCCC(O)C(C)C(O)CC(O)C(C)[C@H]2C[C@H](O)[C@@H](O)[C@@](O)(CC1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H]3O)[C@H](O[C@H]3C[C@@H](O)[C@H](N)[C@@H](C)O3)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)O2.
What is the InChIKey of 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid?
The InChIKey is IHYJOPDXBQFMAW-AMOQXEQXSA-N. The full InChI is InChI=1S/C96H154Cl3N5O42/c1-34-22-23-49(106)27-50(107)26-48(105)18-16-21-62(115)140-81(39(6)74(117)38(5)73(116)35(2)41(8)131-65-32-60(138-92(128)51-24-25-104(130)72(69(51)101)91(126)127)70(43(10)133-65)102-90(125)71-66(97)67(98)89(99)103(71)15)40(7)82-84(143-82)53(109)20-17-19-52(108)36(3)54(110)28-55(111)37(4)59-29-58(114)88(124)96(129,146-59)33-61(34)139-95-87(145-93-79(122)78(121)76(119)45(12)135-93)86(142-63-30-56(112)68(100)42(9)132-63)83(47(14)137-95)144-94-80(123)85(77(120)46(13)136-94)141-64-31-57(113)75(118)44(11)134-64/h16,21,24-25,34-50,52-61,63-65,68,70,73-88,93-95,105-114,116-124,129H,17-20,22-23,26-33,100-101H2,1-15H3,(H,102,125)(H,126,127)/t34?,35?,36?,37?,38?,39?,40?,41?,42-,43-,44-,45-,46-,47-,48?,49?,50?,52?,53?,54?,55?,56-,57-,58+,59-,60-,61?,63+,64+,65-,68-,70-,73?,74?,75-,76-,77-,78+,79-,80-,81?,82?,83-,84?,85+,86+,87-,88-,93+,94+,95+,96-/m1/s1.
What are the key properties of 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid?
3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid has a molecular weight of 2156.64 g/mol, XLogP of -1.54, 23 rotatable bonds, 24 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2R,3R,4R,6R)-6-[7-[(1R,32R,33R,34S)-30-[(2R,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,7,11,22,24,26,32,33,34-decahydroxy-2,6,15,29-tetramethyl-18-oxo-13,17,36-trioxatricyclo[30.3.1.012,14]hexatriacont-19-en-16-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy-2-methyl-3-[(3,4,5-trichloro-1-methylpyrrole-2-carbonyl)amino]oxan-4-yl]oxycarbonyl-1-oxidopyridin-1-ium-2-carboxylic acid is sourced from PubChem (CID 100994346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).