SMILES:
C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)OCCN4CCOCC4)[C@@]3(C)CC(=O)[C@@H]12.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]Molecular Processing
Molecular formula
C32H46NO12-3
Molecular weight
636.72
Exact mass
636.3036
XLogP
-2.19
TPSA
216.69
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
9
Heavy atoms
45
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
-3
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.844
Molar refractivity
149.04
Supplementary Information
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