(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

C141H208F3N5O31S5 — CID 157198013

About (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (PubChem CID 157198013) has the molecular formula C141H208F3N5O31S5 and a molecular weight of 2686.55 g/mol. Its IUPAC name is (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione.

Molecular Properties

• Compound Name: (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
• PubChem CID: 157198013
• Molecular Formula: C141H208F3N5O31S5
• Molecular Weight: 2686.55 g/mol
• Exact Mass: 2684.34
• IUPAC Name: (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
• SMILES: C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(/CC2OCCO2)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(/CF)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(CF)/C=C/C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.C/C(=C\c1csc(CO)n1)[C@@H]1C/C=C(/CC2OCCO2)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.C/C(=C\c1csc(CO)n1)[C@@H]1C/C=C(/CF)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
• InChI: InChI=1S/C30H45NO8S.C30H45NO7S.C27H40FNO6S.C27H40FNO5S.C27H38FNO5S/c1-18-7-6-8-21(14-27-37-11-12-38-27)9-10-23(19(2)13-22-17-40-25(16-32)31-22)39-26(34)15-24(33)30(4,5)29(36)20(3)28(18)35;1-18-8-7-9-22(15-27-36-12-13-37-27)10-11-24(19(2)14-23-17-39-21(4)31-23)38-26(33)16-25(32)30(5,6)29(35)20(3)28(18)34;1-16-7-6-8-19(13-28)9-10-21(17(2)11-20-15-36-23(14-30)29-20)35-24(32)12-22(31)27(4,5)26(34)18(3)25(16)33;2*1-16-8-7-9-20(14-28)10-11-22(17(2)12-21-15-35-19(4)29-21)34-24(31)13-23(30)27(5,6)26(33)18(3)25(16)32/h9,13,17-18,20,23-24,27-28,32-33,35H,6-8,10-12,14-16H2,1-5H3;10,14,17-18,20,24-25,27-28,32,34H,7-9,11-13,15-16H2,1-6H3;9,11,15-16,18,21-22,25,30-31,33H,6-8,10,12-14H2,1-5H3;10,12,15-16,18,22-23,25,30,32H,7-9,11,13-14H2,1-6H3;7,9-10,12,15-16,18,22-23,25,30,32H,8,11,13-14H2,1-6H3/b19-13+,21-9+;19-14+,22-10+;17-11+,19-9+;17-12+,20-10+;9-7+,17-12+,20-10-/t18-,20+,23-,24-,28-;18-,20+,24-,25-,28-;16-,18+,21-,22-,25-;2*16-,18+,22-,23-,25-/m00000/s1
• InChIKey: AQLXRESZJLKVMP-OPOQNAJZSA-N
• XLogP: 23.81
• TPSA: 560.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 19
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2686.55
LogP ≤ 5	23.81
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione?

The IUPAC name of (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (CID 157198013) is (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione.

What is the SMILES notation for (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione?

The canonical SMILES for (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione is C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(/CC2OCCO2)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(/CF)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(CF)/C=C/C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.C/C(=C\c1csc(CO)n1)[C@@H]1C/C=C(/CC2OCCO2)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.C/C(=C\c1csc(CO)n1)[C@@H]1C/C=C(/CF)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.

What is the InChIKey of (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione?

The InChIKey is AQLXRESZJLKVMP-OPOQNAJZSA-N. The full InChI is InChI=1S/C30H45NO8S.C30H45NO7S.C27H40FNO6S.C27H40FNO5S.C27H38FNO5S/c1-18-7-6-8-21(14-27-37-11-12-38-27)9-10-23(19(2)13-22-17-40-25(16-32)31-22)39-26(34)15-24(33)30(4,5)29(36)20(3)28(18)35;1-18-8-7-9-22(15-27-36-12-13-37-27)10-11-24(19(2)14-23-17-39-21(4)31-23)38-26(33)16-25(32)30(5,6)29(35)20(3)28(18)34;1-16-7-6-8-19(13-28)9-10-21(17(2)11-20-15-36-23(14-30)29-20)35-24(32)12-22(31)27(4,5)26(34)18(3)25(16)33;2*1-16-8-7-9-20(14-28)10-11-22(17(2)12-21-15-35-19(4)29-21)34-24(31)13-23(30)27(5,6)26(33)18(3)25(16)32/h9,13,17-18,20,23-24,27-28,32-33,35H,6-8,10-12,14-16H2,1-5H3;10,14,17-18,20,24-25,27-28,32,34H,7-9,11-13,15-16H2,1-6H3;9,11,15-16,18,21-22,25,30-31,33H,6-8,10,12-14H2,1-5H3;10,12,15-16,18,22-23,25,30,32H,7-9,11,13-14H2,1-6H3;7,9-10,12,15-16,18,22-23,25,30,32H,8,11,13-14H2,1-6H3/b19-13+,21-9+;19-14+,22-10+;17-11+,19-9+;17-12+,20-10+;9-7+,17-12+,20-10-/t18-,20+,23-,24-,28-;18-,20+,24-,25-,28-;16-,18+,21-,22-,25-;2*16-,18+,22-,23-,25-/m00000/s1.

What are the key properties of (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione?

(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione has a molecular weight of 2686.55 g/mol, XLogP of 23.81, 19 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(1,3-dioxolan-2-ylmethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-16-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;(4S,7R,8S,9S,11E,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione;(4S,7R,8S,9S,13E,16S)-13-(fluoromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione is sourced from PubChem (CID 157198013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).