CCOCCO[C@@H]1CCC(C[C@@H](C)C2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)CC(C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC
SMILES: CCOCCO[C@@H]1CCC(C[C@@H](C)C2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)CC(C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC

Molecular Processing

Molecular formula
C55H87NO14
Molecular weight
986.29
Exact mass
985.6127
XLogP
7.24
TPSA
193.66
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
11
Heavy atoms
70
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
15
Undefined stereo
3
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.764
Molar refractivity
265.36

Supplementary Information

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