[(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol

C166H294N10O56P4S2-4 — CID 163641136

About [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol

[(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol (PubChem CID 163641136) has the molecular formula C166H294N10O56P4S2-4 and a molecular weight of 3514.22 g/mol. Its IUPAC name is [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol.

Molecular Properties

• Compound Name: [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol
• PubChem CID: 163641136
• Molecular Formula: C166H294N10O56P4S2-4
• Molecular Weight: 3514.22 g/mol
• Exact Mass: 3511.89
• IUPAC Name: [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol
• SMILES: CO.CO.CO.CO.COP(=O)([S-])OCC1C[C@@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCCCCC(=O)[C@H](CCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2O)NC(=O)CCCCOC2OC(CO)C(O)C(O)C2O)CN1C(=O)CCCCCNC(=O)OC1CC[C@@]2(C)C(=CCC3C4CCC(C(C)CCCC(C)C)[C@@]4(C)CCC32)C1.COP([O-])(=S)OCC1C[C@@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCCCCC(=O)[C@H](CCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2C)NC(=O)CCCCOC2OC(CO)C(O)C(O)C2C)CN1C(=O)CCCCCNC(=O)OC1CC[C@@]2(C)C(=CCC3C4CCC(C(C)CCCC(C)C)[C@@]4(C)CCC32)C1
• InChI: InChI=1S/C82H143N5O25P2S.C80H139N5O27P2S.4CH4O/c1-52(2)23-22-24-53(3)63-33-34-64-62-32-31-56-43-60(35-37-81(56,6)65(62)36-38-82(63,64)7)109-80(100)84-40-18-11-14-30-73(95)87-47-61(45-58(87)51-108-114(103,115)104-8)112-113(101,102)107-50-57-44-59(90)46-86(57)72(94)29-13-10-9-12-26-67(91)66(85-71(93)28-17-21-42-106-79-55(5)75(97)77(99)69(49-89)111-79)25-15-19-39-83-70(92)27-16-20-41-105-78-54(4)74(96)76(98)68(48-88)110-78;1-50(2)21-20-22-51(3)59-31-32-60-58-30-29-52-41-56(33-35-79(52,4)61(58)34-36-80(59,60)5)109-78(100)82-38-16-9-12-28-69(93)85-45-57(43-54(85)49-108-114(103,115)104-6)112-113(101,102)107-48-53-42-55(88)44-84(53)68(92)27-11-8-7-10-24-63(89)62(83-67(91)26-15-19-40-106-77-75(99)73(97)71(95)65(47-87)111-77)23-13-17-37-81-66(90)25-14-18-39-105-76-74(98)72(96)70(94)64(46-86)110-76;4*1-2/h31,52-55,57-66,68-69,74-79,88-90,96-99H,9-30,32-51H2,1-8H3,(H,83,92)(H,84,100)(H,85,93)(H,101,102)(H,103,115);29,50-51,53-62,64-65,70-77,86-88,94-99H,7-28,30-49H2,1-6H3,(H,81,90)(H,82,100)(H,83,91)(H,101,102)(H,103,115);4*2H,1H3/p-4/t53?,54?,55?,57?,58?,59-,60?,61-,62?,63?,64?,65?,66+,68?,69?,74?,75?,76?,77?,78?,79?,81+,82-,114?;51?,53?,54?,55-,56?,57-,58?,59?,60?,61?,62+,64?,65?,70?,71?,72?,73?,74?,75?,76?,77?,79+,80-,114?;;;;/m11..../s1
• InChIKey: IEIOESRPRHTAJS-STLOVWSJSA-J
• XLogP: 12.09
• TPSA: 981.11 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 58
• Rotatable Bonds: 98
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3514.22
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol?

The IUPAC name of [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol (CID 163641136) is [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol.

What is the SMILES notation for [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol?

The canonical SMILES for [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol is CO.CO.CO.CO.COP(=O)([S-])OCC1C[C@@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCCCCC(=O)[C@H](CCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2O)NC(=O)CCCCOC2OC(CO)C(O)C(O)C2O)CN1C(=O)CCCCCNC(=O)OC1CC[C@@]2(C)C(=CCC3C4CCC(C(C)CCCC(C)C)[C@@]4(C)CCC32)C1.COP([O-])(=S)OCC1C[C@@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCCCCC(=O)[C@H](CCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2C)NC(=O)CCCCOC2OC(CO)C(O)C(O)C2C)CN1C(=O)CCCCCNC(=O)OC1CC[C@@]2(C)C(=CCC3C4CCC(C(C)CCCC(C)C)[C@@]4(C)CCC32)C1.

What is the InChIKey of [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol?

The InChIKey is IEIOESRPRHTAJS-STLOVWSJSA-J. The full InChI is InChI=1S/C82H143N5O25P2S.C80H139N5O27P2S.4CH4O/c1-52(2)23-22-24-53(3)63-33-34-64-62-32-31-56-43-60(35-37-81(56,6)65(62)36-38-82(63,64)7)109-80(100)84-40-18-11-14-30-73(95)87-47-61(45-58(87)51-108-114(103,115)104-8)112-113(101,102)107-50-57-44-59(90)46-86(57)72(94)29-13-10-9-12-26-67(91)66(85-71(93)28-17-21-42-106-79-55(5)75(97)77(99)69(49-89)111-79)25-15-19-39-83-70(92)27-16-20-41-105-78-54(4)74(96)76(98)68(48-88)110-78;1-50(2)21-20-22-51(3)59-31-32-60-58-30-29-52-41-56(33-35-79(52,4)61(58)34-36-80(59,60)5)109-78(100)82-38-16-9-12-28-69(93)85-45-57(43-54(85)49-108-114(103,115)104-6)112-113(101,102)107-48-53-42-55(88)44-84(53)68(92)27-11-8-7-10-24-63(89)62(83-67(91)26-15-19-40-106-77-75(99)73(97)71(95)65(47-87)111-77)23-13-17-37-81-66(90)25-14-18-39-105-76-74(98)72(96)70(94)64(46-86)110-76;4*1-2/h31,52-55,57-66,68-69,74-79,88-90,96-99H,9-30,32-51H2,1-8H3,(H,83,92)(H,84,100)(H,85,93)(H,101,102)(H,103,115);29,50-51,53-62,64-65,70-77,86-88,94-99H,7-28,30-49H2,1-6H3,(H,81,90)(H,82,100)(H,83,91)(H,101,102)(H,103,115);4*2H,1H3/p-4/t53?,54?,55?,57?,58?,59-,60?,61-,62?,63?,64?,65?,66+,68?,69?,74?,75?,76?,77?,78?,79?,81+,82-,114?;51?,53?,54?,55-,56?,57-,58?,59?,60?,61?,62+,64?,65?,70?,71?,72?,73?,74?,75?,76?,77?,79+,80-,114?;;;;/m11..../s1.

What are the key properties of [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol?

[(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol has a molecular weight of 3514.22 g/mol, XLogP of 12.09, 98 rotatable bonds, 26 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-1-[(9S)-9,13-bis[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-8-oxotridecanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-[6-[[(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]-5-[[methoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-[(9S)-8-oxo-9,13-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]tridecanoyl]pyrrolidin-2-yl]methyl phosphate;methanol is sourced from PubChem (CID 163641136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).