(2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide)

C133H165N15O43S2 — CID 167597552

About (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide)

(2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide) (PubChem CID 167597552) has the molecular formula C133H165N15O43S2 and a molecular weight of 2725.98 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide).

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide)
• PubChem CID: 167597552
• Molecular Formula: C133H165N15O43S2
• Molecular Weight: 2725.98 g/mol
• Exact Mass: 2724.06
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide)
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CCC(=O)Cc2ccc3c(c2)cc(CN(C)NC)n3CCC(=O)CCCCC[C@H](NC(C)=O)C(=O)N[C@H](C(=O)C[C@@H](C)C(=O)Nc2ccc(COC(=O)N(CCc3c4c(nc5ccccc35)-c3cc5c(c(=O)n3C4)COC(=O)[C@]5(O)CC)C(C)C)cc2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)C)NC(C)=O)C(C)C)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)C(C)C.O=S(=O)=O.O=S(=O)=O
• InChI: InChI=1S/C133H165N15O37.2O3S/c1-17-132(176)91-58-100-108-87(61-147(100)122(166)89(91)65-178-128(132)172)83(85-31-25-27-33-93(85)137-108)46-49-144(69(7)8)130(174)180-63-76-37-42-95(104(55-76)182-126-114(160)110(156)112(158)116(184-126)124(168)169)139-118(162)71(11)51-102(154)106(67(3)4)141-120(164)97(135-73(13)149)35-23-19-21-29-80(151)40-41-82(153)54-75-39-44-99-78(53-75)57-79(60-143(16)134-15)146(99)48-45-81(152)30-22-20-24-36-98(136-74(14)150)121(165)142-107(68(5)6)103(155)52-72(12)119(163)140-96-43-38-77(56-105(96)183-127-115(161)111(157)113(159)117(185-127)125(170)171)64-181-131(175)145(70(9)10)50-47-84-86-32-26-28-34-94(86)138-109-88(84)62-148-101(109)59-92-90(123(148)167)66-179-129(173)133(92,177)18-2;2*1-4(2)3/h25-28,31-34,37-39,42-44,53,55-59,67-72,97-98,106-107,110-117,126-127,134,156-161,176-177H,17-24,29-30,35-36,40-41,45-52,54,60-66H2,1-16H3,(H,135,149)(H,136,150)(H,139,162)(H,140,163)(H,141,164)(H,142,165)(H,168,169)(H,170,171);;/t71-,72-,97+,98+,106+,107+,110+,111+,112+,113+,114-,115-,116+,117+,126-,127-,132+,133+;;/m1../s1
• InChIKey: JHBMUAVGGXEBJM-DRLAZLJVSA-N
• XLogP: 6.79
• TPSA: 837.39 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 48
• Rotatable Bonds: 61
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2725.98
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide)?

The IUPAC name of (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide) (CID 167597552) is (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide).

What is the SMILES notation for (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide)?

The canonical SMILES for (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide) is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CCC(=O)Cc2ccc3c(c2)cc(CN(C)NC)n3CCC(=O)CCCCC[C@H](NC(C)=O)C(=O)N[C@H](C(=O)C[C@@H](C)C(=O)Nc2ccc(COC(=O)N(CCc3c4c(nc5ccccc35)-c3cc5c(c(=O)n3C4)COC(=O)[C@]5(O)CC)C(C)C)cc2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)C)NC(C)=O)C(C)C)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)C(C)C.O=S(=O)=O.O=S(=O)=O.

What is the InChIKey of (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide)?

The InChIKey is JHBMUAVGGXEBJM-DRLAZLJVSA-N. The full InChI is InChI=1S/C133H165N15O37.2O3S/c1-17-132(176)91-58-100-108-87(61-147(100)122(166)89(91)65-178-128(132)172)83(85-31-25-27-33-93(85)137-108)46-49-144(69(7)8)130(174)180-63-76-37-42-95(104(55-76)182-126-114(160)110(156)112(158)116(184-126)124(168)169)139-118(162)71(11)51-102(154)106(67(3)4)141-120(164)97(135-73(13)149)35-23-19-21-29-80(151)40-41-82(153)54-75-39-44-99-78(53-75)57-79(60-143(16)134-15)146(99)48-45-81(152)30-22-20-24-36-98(136-74(14)150)121(165)142-107(68(5)6)103(155)52-72(12)119(163)140-96-43-38-77(56-105(96)183-127-115(161)111(157)113(159)117(185-127)125(170)171)64-181-131(175)145(70(9)10)50-47-84-86-32-26-28-34-94(86)138-109-88(84)62-148-101(109)59-92-90(123(148)167)66-179-129(173)133(92,177)18-2;2*1-4(2)3/h25-28,31-34,37-39,42-44,53,55-59,67-72,97-98,106-107,110-117,126-127,134,156-161,176-177H,17-24,29-30,35-36,40-41,45-52,54,60-66H2,1-16H3,(H,135,149)(H,136,150)(H,139,162)(H,140,163)(H,141,164)(H,142,165)(H,168,169)(H,170,171);;/t71-,72-,97+,98+,106+,107+,110+,111+,112+,113+,114-,115-,116+,117+,126-,127-,132+,133+;;/m1../s1.

What are the key properties of (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide)?

(2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide) has a molecular weight of 2725.98 g/mol, XLogP of 6.79, 61 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2S)-2-acetamido-12-[1-[(9S)-9-acetamido-10-[[(3S,6R)-7-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3,10-dioxodecyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]-8,11-dioxododecanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;bis(sulfur trioxide) is sourced from PubChem (CID 167597552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).