Glycoside
GD007445
Name:
CITICOLINE SODIUMFormula:
C14H25O11N4P2Smiles:
C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OP(=O)([O-])OCC[N+](C)(C)C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 487.32 | Num_heavy_atoms: | 31 |
| TPSA: | 218.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD06066
Formula: C6H16O7NP2
Smiles:
COP(=O)([O-])OP(=O)([O-])OCC[N+](C)(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 276.14 | Num_heavy_atoms: | 16 |
| TPSA: | 107.95 | NumAromaticRings: | 0 |
