[(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate

C183H271N19O31 — CID 160878150

About [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate

[(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate (PubChem CID 160878150) has the molecular formula C183H271N19O31 and a molecular weight of 3233.28 g/mol. Its IUPAC name is [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

• Compound Name: [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate
• PubChem CID: 160878150
• Molecular Formula: C183H271N19O31
• Molecular Weight: 3233.28 g/mol
• Exact Mass: 3231.02
• IUPAC Name: [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate
• SMILES: C/C(=C\C=C\[C@@H](C)COC(=O)N1CC[C@@H](O)C1)[C@H]1OC(=O)CCCCC(C)(C)[C@@H](OC(=O)N2CCN(C)CC2)/C=C/[C@@H]1C.C/C(=C\C=C\[C@@H](C)COC(=O)N1CC[C@@H](Oc2nnnn2-c2ccccc2)C1)[C@H]1OC(=O)CCCCC(C)(C)[C@@H](OC(=O)N2CCN(C)CC2)/C=C/[C@@H]1C.C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](C)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCCC3)CC2)/C=C/[C@@H]1C.C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](C)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCOCC3)CC2)/C=C/[C@@H]1C.C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CC3(C2)CN(C2CCCCCC2)C3)/C=C/[C@@H]1C
• InChI: InChI=1S/C40H57N7O7.C38H55N3O6.C36H53N3O6.C36H53N3O5.C33H53N3O7/c1-29(28-51-38(49)46-22-20-33(27-46)52-37-41-42-43-47(37)32-15-8-7-9-16-32)13-12-14-30(2)36-31(3)18-19-34(40(4,5)21-11-10-17-35(48)54-36)53-39(50)45-25-23-44(6)24-26-45;1-27(32-16-9-10-21-39-32)12-11-13-28(2)35-29(3)17-18-33(37(4,45)20-19-31(42)22-34(43)47-35)46-36(44)41-25-38(26-41)23-40(24-38)30-14-7-5-6-8-15-30;1-26-14-17-36(5,42)32(44-35(41)39-21-19-38(20-22-39)30-15-23-43-24-16-30)13-12-29(4)34(45-33(40)25-26)28(3)10-8-9-27(2)31-11-6-7-18-37-31;1-26-18-19-36(5,42)32(43-35(41)39-23-21-38(22-24-39)30-13-6-7-14-30)17-16-29(4)34(44-33(40)25-26)28(3)12-10-11-27(2)31-15-8-9-20-37-31;1-24(23-41-31(39)36-17-15-27(37)22-36)10-9-11-25(2)30-26(3)13-14-28(33(4,5)16-8-7-12-29(38)43-30)42-32(40)35-20-18-34(6)19-21-35/h7-9,12-16,18-19,29,31,33-34,36H,10-11,17,20-28H2,1-6H3;9-13,16-18,21,27,29-31,33,35,42,45H,5-8,14-15,19-20,22-26H2,1-4H3;6-13,18,26-27,29-30,32,34,42H,14-17,19-25H2,1-5H3;8-12,15-17,20,26-27,29-30,32,34,42H,6-7,13-14,18-19,21-25H2,1-5H3;9-11,13-14,24,26-28,30,37H,7-8,12,15-23H2,1-6H3/b13-12+,19-18+,30-14+;12-11+,18-17+,28-13+;9-8+,13-12+,28-10+;11-10+,17-16+,28-12+;10-9+,14-13+,25-11+/t29-,31+,33-,34+,36-;27-,29+,31-,33+,35-,37-;2*26-,27-,29+,32+,34-,36-;24-,26+,27-,28+,30-/m11111/s1
• InChIKey: SMRFQQULQOTBKC-HAEUSJPMSA-N
• XLogP: 28.66
• TPSA: 556.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3233.28
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate?

The IUPAC name of [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate (CID 160878150) is [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate.

What is the SMILES notation for [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate?

The canonical SMILES for [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate is C/C(=C\C=C\[C@@H](C)COC(=O)N1CC[C@@H](O)C1)[C@H]1OC(=O)CCCCC(C)(C)[C@@H](OC(=O)N2CCN(C)CC2)/C=C/[C@@H]1C.C/C(=C\C=C\[C@@H](C)COC(=O)N1CC[C@@H](Oc2nnnn2-c2ccccc2)C1)[C@H]1OC(=O)CCCCC(C)(C)[C@@H](OC(=O)N2CCN(C)CC2)/C=C/[C@@H]1C.C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](C)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCCC3)CC2)/C=C/[C@@H]1C.C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](C)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCOCC3)CC2)/C=C/[C@@H]1C.C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CC3(C2)CN(C2CCCCCC2)C3)/C=C/[C@@H]1C.

What is the InChIKey of [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate?

The InChIKey is SMRFQQULQOTBKC-HAEUSJPMSA-N. The full InChI is InChI=1S/C40H57N7O7.C38H55N3O6.C36H53N3O6.C36H53N3O5.C33H53N3O7/c1-29(28-51-38(49)46-22-20-33(27-46)52-37-41-42-43-47(37)32-15-8-7-9-16-32)13-12-14-30(2)36-31(3)18-19-34(40(4,5)21-11-10-17-35(48)54-36)53-39(50)45-25-23-44(6)24-26-45;1-27(32-16-9-10-21-39-32)12-11-13-28(2)35-29(3)17-18-33(37(4,45)20-19-31(42)22-34(43)47-35)46-36(44)41-25-38(26-41)23-40(24-38)30-14-7-5-6-8-15-30;1-26-14-17-36(5,42)32(44-35(41)39-21-19-38(20-22-39)30-15-23-43-24-16-30)13-12-29(4)34(45-33(40)25-26)28(3)10-8-9-27(2)31-11-6-7-18-37-31;1-26-18-19-36(5,42)32(43-35(41)39-23-21-38(22-24-39)30-13-6-7-14-30)17-16-29(4)34(44-33(40)25-26)28(3)12-10-11-27(2)31-15-8-9-20-37-31;1-24(23-41-31(39)36-17-15-27(37)22-36)10-9-11-25(2)30-26(3)13-14-28(33(4,5)16-8-7-12-29(38)43-30)42-32(40)35-20-18-34(6)19-21-35/h7-9,12-16,18-19,29,31,33-34,36H,10-11,17,20-28H2,1-6H3;9-13,16-18,21,27,29-31,33,35,42,45H,5-8,14-15,19-20,22-26H2,1-4H3;6-13,18,26-27,29-30,32,34,42H,14-17,19-25H2,1-5H3;8-12,15-17,20,26-27,29-30,32,34,42H,6-7,13-14,18-19,21-25H2,1-5H3;9-11,13-14,24,26-28,30,37H,7-8,12,15-23H2,1-6H3/b13-12+,19-18+,30-14+;12-11+,18-17+,28-13+;9-8+,13-12+,28-10+;11-10+,17-16+,28-12+;10-9+,14-13+,25-11+/t29-,31+,33-,34+,36-;27-,29+,31-,33+,35-,37-;2*26-,27-,29+,32+,34-,36-;24-,26+,27-,28+,30-/m11111/s1.

What are the key properties of [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate?

[(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate has a molecular weight of 3233.28 g/mol, XLogP of 28.66, 33 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-3,7-dimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 6-cycloheptyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;[(2S,3S,4E,6S)-2-[(2E,4E,6R)-7-[(3R)-3-hydroxypyrrolidine-1-carbonyl]oxy-6-methylhepta-2,4-dien-2-yl]-3,7,7-trimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-cyclopentylpiperazine-1-carboxylate;[(2S,3S,4E,6S,7R,10R)-7-hydroxy-3,7,10-trimethyl-12-oxo-2-[(2E,4E,6R)-6-pyridin-2-ylhepta-2,4-dien-2-yl]-1-oxacyclododec-4-en-6-yl] 4-(oxan-4-yl)piperazine-1-carboxylate;[(2S,3S,4E,6S)-3,7,7-trimethyl-2-[(2E,4E,6R)-6-methyl-7-[(3R)-3-(1-phenyltetrazol-5-yl)oxypyrrolidine-1-carbonyl]oxyhepta-2,4-dien-2-yl]-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 160878150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).