[(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate

C124H182I2N4O41 — CID 158974128

About [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate

[(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate (PubChem CID 158974128) has the molecular formula C124H182I2N4O41 and a molecular weight of 2638.61 g/mol. Its IUPAC name is [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate.

Molecular Properties

• Compound Name: [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate
• PubChem CID: 158974128
• Molecular Formula: C124H182I2N4O41
• Molecular Weight: 2638.61 g/mol
• Exact Mass: 2637.04
• IUPAC Name: [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate
• SMILES: CC1O[C@@H](OC2C(O)[C@@H](NC(=O)CCCCCCC(=O)c3ccc(I)cc3)C(CO)O[C@H]2OC(=O)[C@]23CC[C@@H](C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]2(C)CC3O)C(O)C(O)[C@H]1O[C@@H]1OC[C@@H](O)C(O)C1O.CC1O[C@@H](OC2C(O)[C@@H](NC(=O)CCCCCN)C(CO)O[C@H]2OC(=O)[C@]23CCC(C)(C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]2(C)CC3O)C(O)C(O)[C@H]1O[C@@H]1OC[C@@H](O)C(O)C1O.O=C(ON1C(=O)CCC1=O)c1ccc(I)cc1
• InChI: InChI=1S/C60H88INO19.C53H86N2O18.C11H8INO4/c1-30-19-24-60(35(25-30)34-17-18-40-56(3)22-21-41(67)57(4,29-64)39(56)20-23-58(40,5)59(34,6)26-42(60)68)55(75)81-54-51(80-53-49(74)47(72)50(31(2)77-53)79-52-48(73)45(70)37(66)28-76-52)46(71)44(38(27-63)78-54)62-43(69)12-10-8-7-9-11-36(65)32-13-15-33(61)16-14-32;1-26-42(71-44-40(65)37(62)29(58)24-68-44)39(64)41(66)45(69-26)72-43-38(63)36(55-35(61)11-9-8-10-20-54)30(23-56)70-46(43)73-47(67)53-19-18-48(2,3)21-28(53)27-12-13-32-49(4)16-15-33(59)50(5,25-57)31(49)14-17-51(32,6)52(27,7)22-34(53)60;12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h13-17,29-31,35,37-42,44-54,63,66-68,70-74H,7-12,18-28H2,1-6H3,(H,62,69);12,25-26,28-34,36-46,56,58-60,62-66H,8-11,13-24,54H2,1-7H3,(H,55,61);1-4H,5-6H2/t30-,31?,35?,37-,38?,39-,40?,41+,42?,44+,45?,46?,47?,48?,49?,50+,51?,52+,53+,54+,56?,57-,58+,59-,60-;26?,28?,29-,30?,31-,32?,33+,34?,36+,37?,38?,39?,40?,41?,42+,43?,44+,45+,46+,49?,50-,51+,52-,53-;/m11./s1
• InChIKey: JOEBRENFBJBWKG-UVUQYVGQSA-N
• XLogP: 5.63
• TPSA: 708.15 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2638.61
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate?

The IUPAC name of [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate (CID 158974128) is [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate.

What is the SMILES notation for [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate?

The canonical SMILES for [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate is CC1O[C@@H](OC2C(O)[C@@H](NC(=O)CCCCCCC(=O)c3ccc(I)cc3)C(CO)O[C@H]2OC(=O)[C@]23CC[C@@H](C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]2(C)CC3O)C(O)C(O)[C@H]1O[C@@H]1OC[C@@H](O)C(O)C1O.CC1O[C@@H](OC2C(O)[C@@H](NC(=O)CCCCCN)C(CO)O[C@H]2OC(=O)[C@]23CCC(C)(C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]2(C)CC3O)C(O)C(O)[C@H]1O[C@@H]1OC[C@@H](O)C(O)C1O.O=C(ON1C(=O)CCC1=O)c1ccc(I)cc1.

What is the InChIKey of [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate?

The InChIKey is JOEBRENFBJBWKG-UVUQYVGQSA-N. The full InChI is InChI=1S/C60H88INO19.C53H86N2O18.C11H8INO4/c1-30-19-24-60(35(25-30)34-17-18-40-56(3)22-21-41(67)57(4,29-64)39(56)20-23-58(40,5)59(34,6)26-42(60)68)55(75)81-54-51(80-53-49(74)47(72)50(31(2)77-53)79-52-48(73)45(70)37(66)28-76-52)46(71)44(38(27-63)78-54)62-43(69)12-10-8-7-9-11-36(65)32-13-15-33(61)16-14-32;1-26-42(71-44-40(65)37(62)29(58)24-68-44)39(64)41(66)45(69-26)72-43-38(63)36(55-35(61)11-9-8-10-20-54)30(23-56)70-46(43)73-47(67)53-19-18-48(2,3)21-28(53)27-12-13-32-49(4)16-15-33(59)50(5,25-57)31(49)14-17-51(32,6)52(27,7)22-34(53)60;12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h13-17,29-31,35,37-42,44-54,63,66-68,70-74H,7-12,18-28H2,1-6H3,(H,62,69);12,25-26,28-34,36-46,56,58-60,62-66H,8-11,13-24,54H2,1-7H3,(H,55,61);1-4H,5-6H2/t30-,31?,35?,37-,38?,39-,40?,41+,42?,44+,45?,46?,47?,48?,49?,50+,51?,52+,53+,54+,56?,57-,58+,59-,60-;26?,28?,29-,30?,31-,32?,33+,34?,36+,37?,38?,39?,40?,41?,42+,43?,44+,45+,46+,49?,50-,51+,52-,53-;/m11./s1.

What are the key properties of [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate?

[(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate has a molecular weight of 2638.61 g/mol, XLogP of 5.63, 33 rotatable bonds, 21 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,5R)-5-(6-aminohexanoylamino)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[[8-(4-iodophenyl)-8-oxooctanoyl]amino]oxan-2-yl] (2R,4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,6a,6b,9,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-iodobenzoate is sourced from PubChem (CID 158974128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).