2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid

C108H164N4O24 — CID 161387755

About 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid

2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid (PubChem CID 161387755) has the molecular formula C108H164N4O24 and a molecular weight of 1902.50 g/mol. Its IUPAC name is 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid
• PubChem CID: 161387755
• Molecular Formula: C108H164N4O24
• Molecular Weight: 1902.50 g/mol
• Exact Mass: 1901.17
• IUPAC Name: 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid
• SMILES: C=C1C[C@@H](CC(=O)O)O[C@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]2C)C1.C=C1C[C@@H](CC(=O)O)O[C@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]2C)[C@@H]1O.CC(/C=C/[C@@H]1C[C@]2(CO2)C[C@@H](CC(=O)O)O1)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C.CC(/C=C/[C@H]1O[C@H](CC(=O)O)C[C@@]2(CO2)[C@H]1O)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C
• InChI: InChI=1S/C27H41NO7.2C27H41NO6.C27H41NO5/c1-16(2)6-11-24(29)28-21-12-18(4)22(34-19(21)5)9-7-17(3)8-10-23-26(32)27(15-33-27)14-20(35-23)13-25(30)31;1-17(2)6-11-25(29)28-23-12-19(4)24(33-20(23)5)10-8-18(3)7-9-21-14-27(16-32-27)15-22(34-21)13-26(30)31;1-16(2)7-12-25(29)28-22-14-18(4)23(33-20(22)6)10-8-17(3)9-11-24-27(32)19(5)13-21(34-24)15-26(30)31;1-17(2)7-12-26(29)28-24-15-20(5)25(32-21(24)6)11-9-18(3)8-10-22-13-19(4)14-23(33-22)16-27(30)31/h6-8,10-11,16,18-23,26,32H,9,12-15H2,1-5H3,(H,28,29)(H,30,31);6-9,11,17,19-24H,10,12-16H2,1-5H3,(H,28,29)(H,30,31);7-9,11-12,16,18,20-24,27,32H,5,10,13-15H2,1-4,6H3,(H,28,29)(H,30,31);7-10,12,17,20-25H,4,11,13-16H2,1-3,5-6H3,(H,28,29)(H,30,31)/b10-8+,11-6-,17-7+;9-7+,11-6-,18-8+;11-9+,12-7-,17-8+;10-8+,12-7-,18-9+/t18-,19+,20+,21+,22-,23+,26-,27+;19-,20+,21+,22+,23+,24-,27+;18-,20+,21-,22+,23-,24+,27+;20-,21+,22+,23-,24+,25-/m0000/s1
• InChIKey: VSORFPXXICBLNM-PRPKOOQLSA-N
• XLogP: 16.24
• TPSA: 404.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.50
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid?

The IUPAC name of 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid (CID 161387755) is 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid.

What is the SMILES notation for 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid?

The canonical SMILES for 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid is C=C1C[C@@H](CC(=O)O)O[C@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]2C)C1.C=C1C[C@@H](CC(=O)O)O[C@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]2C)[C@@H]1O.CC(/C=C/[C@@H]1C[C@]2(CO2)C[C@@H](CC(=O)O)O1)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C.CC(/C=C/[C@H]1O[C@H](CC(=O)O)C[C@@]2(CO2)[C@H]1O)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C.

What is the InChIKey of 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid?

The InChIKey is VSORFPXXICBLNM-PRPKOOQLSA-N. The full InChI is InChI=1S/C27H41NO7.2C27H41NO6.C27H41NO5/c1-16(2)6-11-24(29)28-21-12-18(4)22(34-19(21)5)9-7-17(3)8-10-23-26(32)27(15-33-27)14-20(35-23)13-25(30)31;1-17(2)6-11-25(29)28-23-12-19(4)24(33-20(23)5)10-8-18(3)7-9-21-14-27(16-32-27)15-22(34-21)13-26(30)31;1-16(2)7-12-25(29)28-22-14-18(4)23(33-20(22)6)10-8-17(3)9-11-24-27(32)19(5)13-21(34-24)15-26(30)31;1-17(2)7-12-26(29)28-24-15-20(5)25(32-21(24)6)11-9-18(3)8-10-22-13-19(4)14-23(33-22)16-27(30)31/h6-8,10-11,16,18-23,26,32H,9,12-15H2,1-5H3,(H,28,29)(H,30,31);6-9,11,17,19-24H,10,12-16H2,1-5H3,(H,28,29)(H,30,31);7-9,11-12,16,18,20-24,27,32H,5,10,13-15H2,1-4,6H3,(H,28,29)(H,30,31);7-10,12,17,20-25H,4,11,13-16H2,1-3,5-6H3,(H,28,29)(H,30,31)/b10-8+,11-6-,17-7+;9-7+,11-6-,18-8+;11-9+,12-7-,17-8+;10-8+,12-7-,18-9+/t18-,19+,20+,21+,22-,23+,26-,27+;19-,20+,21+,22+,23+,24-,27+;18-,20+,21-,22+,23-,24+,27+;20-,21+,22+,23-,24+,25-/m0000/s1.

What are the key properties of 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid?

2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid has a molecular weight of 1902.50 g/mol, XLogP of 16.24, 36 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S,5S,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(3R,4S,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid;2-[(2S,5R,6R)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-5-hydroxy-4-methylideneoxan-2-yl]acetic acid;2-[(2S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-methylideneoxan-2-yl]acetic acid is sourced from PubChem (CID 161387755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).