Glycoside
GD133007
Name:
Clitidine 5'-PhosphateFormula:
C11H15O9N2PSmiles:
N=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)cc1C(=O)OAglycone:
COP(=O)(O)O.N=c1cc[nH]cc1C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.22 | Num_heavy_atoms: | 23 |
| TPSA: | 182.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD49618
Formula: C6H6O2N2
Smiles:
N=c1cc[nH]cc1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 76.94 | NumAromaticRings: | 1 |
