(2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid

C148H204N20O45 — CID 177292825

About (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid

(2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid (PubChem CID 177292825) has the molecular formula C148H204N20O45 and a molecular weight of 2983.35 g/mol. Its IUPAC name is (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid
• PubChem CID: 177292825
• Molecular Formula: C148H204N20O45
• Molecular Weight: 2983.35 g/mol
• Exact Mass: 2981.43
• IUPAC Name: (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid
• SMILES: Cc1cc(C(=O)NCC(O)[C@@H](O)[C@@H]2O[C@@](OCc3ccccc3)(C(=O)O)C[C@H](O)[C@H]2NC(=O)Cn2cc(C3CCC(C(=O)NCCCOCCOCCOCCCNC(=O)c4cc(C(=O)NCCCOCCOCCOCCCNC(=O)C5CCC(c6cn(CC(=O)NC7[C@H]([C@H](O)[C@H](O)CNC(=O)c8cc(C)c(O)c(C)c8)O[C@@](OCc8ccccc8)(C(=O)O)C[C@@H]7O)nn6)CC5)cc(C(=O)NCCCOCCOCCOCCCNC(=O)C5CCC(c6cn(CC(=O)N[C@@H](C[C@H](O)C(O)CNC(=O)c7cc(C)c(O)c(C)c7)[C@@H](O)C[C@](O)(OCc7ccccc7)C(=O)O)nn6)CC5)c4)CC3)cn2)cc(C)c1O
• InChI: InChI=1S/C148H204N20O45/c1-90-64-105(65-91(2)127(90)179)140(190)155-78-119(173)115(169)73-112(116(170)74-146(199,143(193)194)209-87-96-22-10-7-11-23-96)159-122(176)85-167-82-113(162-164-167)100-30-36-103(37-31-100)135(185)150-41-17-47-201-53-59-207-62-56-204-50-20-44-153-138(188)109-70-108(137(187)152-43-19-49-203-55-61-206-58-52-200-46-16-40-149-134(184)102-34-28-99(29-35-102)111-77-158-166(81-111)84-123(177)160-125-117(171)75-147(144(195)196,210-88-97-24-12-8-13-25-97)212-132(125)130(182)120(174)79-156-141(191)106-66-92(3)128(180)93(4)67-106)71-110(72-109)139(189)154-45-21-51-205-57-63-208-60-54-202-48-18-42-151-136(186)104-38-32-101(33-39-104)114-83-168(165-163-114)86-124(178)161-126-118(172)76-148(145(197)198,211-89-98-26-14-9-15-27-98)213-133(126)131(183)121(175)80-157-142(192)107-68-94(5)129(181)95(6)69-107/h7-15,22-27,64-72,77,81-83,99-104,112,115-121,125-126,130-133,169-175,179-183,199H,16-21,28-63,73-76,78-80,84-89H2,1-6H3,(H,149,184)(H,150,185)(H,151,186)(H,152,187)(H,153,188)(H,154,189)(H,155,190)(H,156,191)(H,157,192)(H,159,176)(H,160,177)(H,161,178)(H,193,194)(H,195,196)(H,197,198)/t99?,100?,101?,102?,103?,104?,112-,115-,116-,117-,118-,119?,120?,121+,125+,126?,130+,131+,132+,133+,146-,147+,148+/m0/s1
• InChIKey: PLUNOOMYGPASON-JWXBCFIOSA-N
• XLogP: 3.32
• TPSA: 932.55 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 50
• Rotatable Bonds: 91
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2983.35
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid?

The IUPAC name of (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid (CID 177292825) is (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid.

What is the SMILES notation for (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid?

The canonical SMILES for (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid is Cc1cc(C(=O)NCC(O)[C@@H](O)[C@@H]2O[C@@](OCc3ccccc3)(C(=O)O)C[C@H](O)[C@H]2NC(=O)Cn2cc(C3CCC(C(=O)NCCCOCCOCCOCCCNC(=O)c4cc(C(=O)NCCCOCCOCCOCCCNC(=O)C5CCC(c6cn(CC(=O)NC7[C@H]([C@H](O)[C@H](O)CNC(=O)c8cc(C)c(O)c(C)c8)O[C@@](OCc8ccccc8)(C(=O)O)C[C@@H]7O)nn6)CC5)cc(C(=O)NCCCOCCOCCOCCCNC(=O)C5CCC(c6cn(CC(=O)N[C@@H](C[C@H](O)C(O)CNC(=O)c7cc(C)c(O)c(C)c7)[C@@H](O)C[C@](O)(OCc7ccccc7)C(=O)O)nn6)CC5)c4)CC3)cn2)cc(C)c1O.

What is the InChIKey of (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid?

The InChIKey is PLUNOOMYGPASON-JWXBCFIOSA-N. The full InChI is InChI=1S/C148H204N20O45/c1-90-64-105(65-91(2)127(90)179)140(190)155-78-119(173)115(169)73-112(116(170)74-146(199,143(193)194)209-87-96-22-10-7-11-23-96)159-122(176)85-167-82-113(162-164-167)100-30-36-103(37-31-100)135(185)150-41-17-47-201-53-59-207-62-56-204-50-20-44-153-138(188)109-70-108(137(187)152-43-19-49-203-55-61-206-58-52-200-46-16-40-149-134(184)102-34-28-99(29-35-102)111-77-158-166(81-111)84-123(177)160-125-117(171)75-147(144(195)196,210-88-97-24-12-8-13-25-97)212-132(125)130(182)120(174)79-156-141(191)106-66-92(3)128(180)93(4)67-106)71-110(72-109)139(189)154-45-21-51-205-57-63-208-60-54-202-48-18-42-151-136(186)104-38-32-101(33-39-104)114-83-168(165-163-114)86-124(178)161-126-118(172)76-148(145(197)198,211-89-98-26-14-9-15-27-98)213-133(126)131(183)121(175)80-157-142(192)107-68-94(5)129(181)95(6)69-107/h7-15,22-27,64-72,77,81-83,99-104,112,115-121,125-126,130-133,169-175,179-183,199H,16-21,28-63,73-76,78-80,84-89H2,1-6H3,(H,149,184)(H,150,185)(H,151,186)(H,152,187)(H,153,188)(H,154,189)(H,155,190)(H,156,191)(H,157,192)(H,159,176)(H,160,177)(H,161,178)(H,193,194)(H,195,196)(H,197,198)/t99?,100?,101?,102?,103?,104?,112-,115-,116-,117-,118-,119?,120?,121+,125+,126?,130+,131+,132+,133+,146-,147+,148+/m0/s1.

What are the key properties of (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid?

(2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid has a molecular weight of 2983.35 g/mol, XLogP of 3.32, 91 rotatable bonds, 28 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R,6R)-5-[[2-[4-[4-[3-[2-[2-[3-[[3-[3-[2-[2-[3-[[4-[1-[2-[[(2R,4S,6R)-6-carboxy-2-[(1R,2R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-6-phenylmethoxyoxan-3-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-5-[3-[2-[2-[3-[[4-[1-[2-[[(1S,3S,4S,6S)-1-carboxy-1,3,6,7-tetrahydroxy-8-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-1-phenylmethoxyoctan-4-yl]amino]-2-oxoethyl]triazol-4-yl]cyclohexanecarbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]benzoyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]cyclohexyl]pyrazol-1-yl]acetyl]amino]-6-[(1R)-1,2-dihydroxy-3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propyl]-4-hydroxy-2-phenylmethoxyoxane-2-carboxylic acid is sourced from PubChem (CID 177292825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).