[(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate

C132H220N8O28 — CID 160613173

IUPAC[(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate
SMILESCC(/C=C/NC(=O)CC(C)C)=C\[C@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](O)/C=C/[C@H](O)CCCCCC(=O)O1.CC(C)=CC(=O)N/C=C/C(C)=C/[C@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCC/C=C/C(=O)O1.CC(C)=CC(=O)NCC/C(C)=C/[C@H](C)[C@H]1C/C(C)=C/CCCC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCCCCC(=O)O1.CC(C)CC(=O)NCCC(C)C[C@H](C)[C@H]1CC(C)CCCCC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCCCCC(=O)O1
InChIInChI=1S/C33H62N2O7.C33H56N2O7.C33H52N2O7.C33H50N2O7/c4*1-23(2)20-31(38)35-19-18-25(4)21-26(5)30-22-24(3)12-8-6-10-14-29(42-33(34)40)28(37)17-16-27(36)13-9-7-11-15-32(39)41-30/h23-30,36-37H,6-22H2,1-5H3,(H2,34,40)(H,35,38);12,20-21,26-30,36-37H,6-11,13-19,22H2,1-5H3,(H2,34,40)(H,35,38);6,8,12,16-19,21,23,26-30,36-37H,7,9-11,13-15,20,22H2,1-5H3,(H2,34,40)(H,35,38);6,8,11-12,15,18-21,26-30,36-37H,7,9-10,13-14,16-17,22H2,1-5H3,(H2,34,40)(H,35,38)/b;24-12+,25-21+;8-6+,17-16+,19-18+,24-12+,25-21+;8-6+,15-11+,19-18+,24-12+,25-21+/t24?,25?,26-,27+,28+,29+,30+;3*26-,27+,28+,29+,30+/m0000/s1
InChIKeyRFSYZNIEXRGIDD-ZDYQCCHBSA-N
MW2367.24 g/mol
LogP22.79
Rot. Bonds29

About [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate

[(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate (PubChem CID 160613173) has the molecular formula C132H220N8O28 and a molecular weight of 2367.24 g/mol. Its IUPAC name is [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate.

Molecular Properties

Compound Name[(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate
PubChem CID160613173
Molecular FormulaC132H220N8O28
Molecular Weight2367.24 g/mol
Exact Mass2365.60
IUPAC Name[(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate
SMILESCC(/C=C/NC(=O)CC(C)C)=C\[C@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](O)/C=C/[C@H](O)CCCCCC(=O)O1.CC(C)=CC(=O)N/C=C/C(C)=C/[C@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCC/C=C/C(=O)O1.CC(C)=CC(=O)NCC/C(C)=C/[C@H](C)[C@H]1C/C(C)=C/CCCC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCCCCC(=O)O1.CC(C)CC(=O)NCCC(C)C[C@H](C)[C@H]1CC(C)CCCCC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCCCCC(=O)O1
InChIInChI=1S/C33H62N2O7.C33H56N2O7.C33H52N2O7.C33H50N2O7/c4*1-23(2)20-31(38)35-19-18-25(4)21-26(5)30-22-24(3)12-8-6-10-14-29(42-33(34)40)28(37)17-16-27(36)13-9-7-11-15-32(39)41-30/h23-30,36-37H,6-22H2,1-5H3,(H2,34,40)(H,35,38);12,20-21,26-30,36-37H,6-11,13-19,22H2,1-5H3,(H2,34,40)(H,35,38);6,8,12,16-19,21,23,26-30,36-37H,7,9-11,13-15,20,22H2,1-5H3,(H2,34,40)(H,35,38);6,8,11-12,15,18-21,26-30,36-37H,7,9-10,13-14,16-17,22H2,1-5H3,(H2,34,40)(H,35,38)/b;24-12+,25-21+;8-6+,17-16+,19-18+,24-12+,25-21+;8-6+,15-11+,19-18+,24-12+,25-21+/t24?,25?,26-,27+,28+,29+,30+;3*26-,27+,28+,29+,30+/m0000/s1
InChIKeyRFSYZNIEXRGIDD-ZDYQCCHBSA-N
XLogP22.79
TPSA592.72 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002367.24
LogP ≤ 522.79
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate?
The IUPAC name of [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate (CID 160613173) is [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate.
What is the SMILES notation for [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate?
The canonical SMILES for [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate is CC(/C=C/NC(=O)CC(C)C)=C\[C@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](O)/C=C/[C@H](O)CCCCCC(=O)O1.CC(C)=CC(=O)N/C=C/C(C)=C/[C@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCC/C=C/C(=O)O1.CC(C)=CC(=O)NCC/C(C)=C/[C@H](C)[C@H]1C/C(C)=C/CCCC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCCCCC(=O)O1.CC(C)CC(=O)NCCC(C)C[C@H](C)[C@H]1CC(C)CCCCC[C@@H](OC(N)=O)[C@H](O)CC[C@H](O)CCCCCC(=O)O1.
What is the InChIKey of [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate?
The InChIKey is RFSYZNIEXRGIDD-ZDYQCCHBSA-N. The full InChI is InChI=1S/C33H62N2O7.C33H56N2O7.C33H52N2O7.C33H50N2O7/c4*1-23(2)20-31(38)35-19-18-25(4)21-26(5)30-22-24(3)12-8-6-10-14-29(42-33(34)40)28(37)17-16-27(36)13-9-7-11-15-32(39)41-30/h23-30,36-37H,6-22H2,1-5H3,(H2,34,40)(H,35,38);12,20-21,26-30,36-37H,6-11,13-19,22H2,1-5H3,(H2,34,40)(H,35,38);6,8,12,16-19,21,23,26-30,36-37H,7,9-11,13-15,20,22H2,1-5H3,(H2,34,40)(H,35,38);6,8,11-12,15,18-21,26-30,36-37H,7,9-10,13-14,16-17,22H2,1-5H3,(H2,34,40)(H,35,38)/b;24-12+,25-21+;8-6+,17-16+,19-18+,24-12+,25-21+;8-6+,15-11+,19-18+,24-12+,25-21+/t24?,25?,26-,27+,28+,29+,30+;3*26-,27+,28+,29+,30+/m0000/s1.
What are the key properties of [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate?
[(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate has a molecular weight of 2367.24 g/mol, XLogP of 22.79, 29 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4E,6E,10R,11R,12E,14R)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbutanoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,12-trien-10-yl] carbamate;[(2R,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(2S)-4-methyl-6-(3-methylbutanoylamino)hexan-2-yl]-20-oxo-oxacycloicos-10-yl] carbamate;[(2R,4E,6E,10R,11R,14R,18E)-11,14-dihydroxy-4-methyl-2-[(2S,3E,5E)-4-methyl-6-(3-methylbut-2-enoylamino)hexa-3,5-dien-2-yl]-20-oxo-1-oxacycloicosa-4,6,18-trien-10-yl] carbamate;[(2R,4E,10R,11R,14R)-11,14-dihydroxy-4-methyl-2-[(E,2S)-4-methyl-6-(3-methylbut-2-enoylamino)hex-3-en-2-yl]-20-oxo-1-oxacycloicos-4-en-10-yl] carbamate is sourced from PubChem (CID 160613173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).