(2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C111H194N6O57S3Si — CID 45268994

IUPAC(2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESN[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)(CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc4)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O
InChIInChI=1S/C111H194N6O57S3Si/c112-73-58(127)45-109(106(151)152,169-94(73)76(136)61(130)48-118)172-97-79(139)64(51-121)160-103(88(97)148)166-91-67(54-124)163-100(85(145)82(91)142)157-33-13-5-19-39-175-36-16-2-10-27-70(133)115-30-22-42-178(57-25-8-1-9-26-57,43-23-31-116-71(134)28-11-3-17-37-176-40-20-6-14-34-158-101-86(146)83(143)92(68(55-125)164-101)167-104-89(149)98(80(140)65(52-122)161-104)173-110(107(153)154)46-59(128)74(113)95(170-110)77(137)62(131)49-119)44-24-32-117-72(135)29-12-4-18-38-177-41-21-7-15-35-159-102-87(147)84(144)93(69(56-126)165-102)168-105-90(150)99(81(141)66(53-123)162-105)174-111(108(155)156)47-60(129)75(114)96(171-111)78(138)63(132)50-120/h1,8-9,25-26,58-69,73-105,118-132,136-150H,2-7,10-24,27-56,112-114H2,(H,115,133)(H,116,134)(H,117,135)(H,151,152)(H,153,154)(H,155,156)/t58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97-,98-,99-,100+,101+,102+,103-,104-,105-,109-,110-,111-/m0/s1
InChIKeyZWXRISFTCZBFSD-QAZREISMSA-N
MW2649.05 g/mol
LogP-12.84
Rot. Bonds82

About (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 45268994) has the molecular formula C111H194N6O57S3Si and a molecular weight of 2649.05 g/mol. Its IUPAC name is (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID45268994
Molecular FormulaC111H194N6O57S3Si
Molecular Weight2649.05 g/mol
Exact Mass2647.14
IUPAC Name(2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESN[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)(CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc4)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O
InChIInChI=1S/C111H194N6O57S3Si/c112-73-58(127)45-109(106(151)152,169-94(73)76(136)61(130)48-118)172-97-79(139)64(51-121)160-103(88(97)148)166-91-67(54-124)163-100(85(145)82(91)142)157-33-13-5-19-39-175-36-16-2-10-27-70(133)115-30-22-42-178(57-25-8-1-9-26-57,43-23-31-116-71(134)28-11-3-17-37-176-40-20-6-14-34-158-101-86(146)83(143)92(68(55-125)164-101)167-104-89(149)98(80(140)65(52-122)161-104)173-110(107(153)154)46-59(128)74(113)95(170-110)77(137)62(131)49-119)44-24-32-117-72(135)29-12-4-18-38-177-41-21-7-15-35-159-102-87(147)84(144)93(69(56-126)165-102)168-105-90(150)99(81(141)66(53-123)162-105)174-111(108(155)156)47-60(129)75(114)96(171-111)78(138)63(132)50-120/h1,8-9,25-26,58-69,73-105,118-132,136-150H,2-7,10-24,27-56,112-114H2,(H,115,133)(H,116,134)(H,117,135)(H,151,152)(H,153,154)(H,155,156)/t58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97-,98-,99-,100+,101+,102+,103-,104-,105-,109-,110-,111-/m0/s1
InChIKeyZWXRISFTCZBFSD-QAZREISMSA-N
XLogP-12.84
TPSA1050.30 Ų
H-Bond Donors39
H-Bond Acceptors60
Rotatable Bonds82
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002649.05
LogP ≤ 5-12.84
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

Analyze (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 45268994) is (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)(CCCNC(=O)CCCCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc4)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O.
What is the InChIKey of (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is ZWXRISFTCZBFSD-QAZREISMSA-N. The full InChI is InChI=1S/C111H194N6O57S3Si/c112-73-58(127)45-109(106(151)152,169-94(73)76(136)61(130)48-118)172-97-79(139)64(51-121)160-103(88(97)148)166-91-67(54-124)163-100(85(145)82(91)142)157-33-13-5-19-39-175-36-16-2-10-27-70(133)115-30-22-42-178(57-25-8-1-9-26-57,43-23-31-116-71(134)28-11-3-17-37-176-40-20-6-14-34-158-101-86(146)83(143)92(68(55-125)164-101)167-104-89(149)98(80(140)65(52-122)161-104)173-110(107(153)154)46-59(128)74(113)95(170-110)77(137)62(131)49-119)44-24-32-117-72(135)29-12-4-18-38-177-41-21-7-15-35-159-102-87(147)84(144)93(69(56-126)165-102)168-105-90(150)99(81(141)66(53-123)162-105)174-111(108(155)156)47-60(129)75(114)96(171-111)78(138)63(132)50-120/h1,8-9,25-26,58-69,73-105,118-132,136-150H,2-7,10-24,27-56,112-114H2,(H,115,133)(H,116,134)(H,117,135)(H,151,152)(H,153,154)(H,155,156)/t58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97-,98-,99-,100+,101+,102+,103-,104-,105-,109-,110-,111-/m0/s1.
What are the key properties of (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
(2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 2649.05 g/mol, XLogP of -12.84, 82 rotatable bonds, 39 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[5-[6-[3-[bis[3-[6-[5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylsulfanyl]hexanoylamino]propyl]-phenylsilyl]propylamino]-6-oxohexyl]sulfanylpentoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 45268994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).