(2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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

C120H144N16O38S — CID 167670272

About (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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

(2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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 (PubChem CID 167670272) has the molecular formula C120H144N16O38S and a molecular weight of 2450.61 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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
• PubChem CID: 167670272
• Molecular Formula: C120H144N16O38S
• Molecular Weight: 2450.61 g/mol
• Exact Mass: 2448.95
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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
• 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](CC(=O)CCC(=O)Nc2ccc3c(c2)cc(CN(C)NC)n3CCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[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)CS(=O)(=O)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
• InChI: InChI=1S/C120H144N16O38S/c1-16-119(162)78-46-85-94-74(49-135(85)109(152)76(78)53-167-115(119)158)70(72-22-18-20-24-80(72)125-94)34-37-132(58(7)8)117(160)169-51-63-26-30-82(88(41-63)171-113-100(145)96(141)98(143)102(173-113)111(154)155)127-104(147)60(11)40-87(138)92(56(3)4)129-107(150)66(55-175(164,165)166)45-69(137)29-33-90(139)124-67-28-32-84-65(43-67)44-68(48-131(15)121-14)134(84)39-36-91(140)122-61(12)106(149)130-93(57(5)6)108(151)123-62(13)105(148)128-83-31-27-64(42-89(83)172-114-101(146)97(142)99(144)103(174-114)112(156)157)52-170-118(161)133(59(9)10)38-35-71-73-23-19-21-25-81(73)126-95-75(71)50-136-86(95)47-79-77(110(136)153)54-168-116(159)120(79,163)17-2/h18-28,30-32,41-44,46-47,56-62,66,92-93,96-103,113-114,121,141-146,162-163H,16-17,29,33-40,45,48-55H2,1-15H3,(H,122,140)(H,123,151)(H,124,139)(H,127,147)(H,128,148)(H,129,150)(H,130,149)(H,154,155)(H,156,157)(H,164,165,166)/t60-,61+,62+,66+,92+,93+,96+,97+,98+,99+,100-,101-,102+,103+,113-,114-,119+,120+/m1/s1
• InChIKey: IAFGFSILOBKJHR-WVVDDEMOSA-N
• XLogP: 4.45
• TPSA: 767.23 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 42
• Rotatable Bonds: 50
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2450.61
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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?

The IUPAC name of (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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 (CID 167670272) is (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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.

What is the SMILES notation for (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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?

The canonical SMILES for (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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 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](CC(=O)CCC(=O)Nc2ccc3c(c2)cc(CN(C)NC)n3CCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[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)CS(=O)(=O)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.

What is the InChIKey of (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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?

The InChIKey is IAFGFSILOBKJHR-WVVDDEMOSA-N. The full InChI is InChI=1S/C120H144N16O38S/c1-16-119(162)78-46-85-94-74(49-135(85)109(152)76(78)53-167-115(119)158)70(72-22-18-20-24-80(72)125-94)34-37-132(58(7)8)117(160)169-51-63-26-30-82(88(41-63)171-113-100(145)96(141)98(143)102(173-113)111(154)155)127-104(147)60(11)40-87(138)92(56(3)4)129-107(150)66(55-175(164,165)166)45-69(137)29-33-90(139)124-67-28-32-84-65(43-67)44-68(48-131(15)121-14)134(84)39-36-91(140)122-61(12)106(149)130-93(57(5)6)108(151)123-62(13)105(148)128-83-31-27-64(42-89(83)172-114-101(146)97(142)99(144)103(174-114)112(156)157)52-170-118(161)133(59(9)10)38-35-71-73-23-19-21-25-81(73)126-95-75(71)50-136-86(95)47-79-77(110(136)153)54-168-116(159)120(79,163)17-2/h18-28,30-32,41-44,46-47,56-62,66,92-93,96-103,113-114,121,141-146,162-163H,16-17,29,33-40,45,48-55H2,1-15H3,(H,122,140)(H,123,151)(H,124,139)(H,127,147)(H,128,148)(H,129,150)(H,130,149)(H,154,155)(H,156,157)(H,164,165,166)/t60-,61+,62+,66+,92+,93+,96+,97+,98+,99+,100-,101-,102+,103+,113-,114-,119+,120+/m1/s1.

What are the key properties of (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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?

(2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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 has a molecular weight of 2450.61 g/mol, XLogP of 4.45, 50 rotatable bonds, 19 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6S)-6-[2-[[(2R,5S)-5-[[(2R)-7-[[1-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[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]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-[[methyl(methylamino)amino]methyl]indol-5-yl]amino]-4,7-dioxo-2-(sulfomethyl)heptanoyl]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 is sourced from PubChem (CID 167670272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).