Glycoside
GD000379
Name:
CITICOLINEFormula:
C14H26O11N4P2Smiles:
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: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 488.33 | Num_heavy_atoms: | 31 |
| TPSA: | 215.72 | 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 |
AD00429
Formula: C6H17O7NP2
Smiles:
COP(=O)([O-])OP(=O)(O)OCC[N+](C)(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 277.15 | Num_heavy_atoms: | 16 |
| TPSA: | 105.12 | NumAromaticRings: | 0 |
