Glycoside
GD037827
Name:
5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidineFormula:
C10H18O13N3P3Smiles:
Nc1ccn([C@H]2O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)n1Aglycone:
COP(=O)(O)CP(=O)(O)OP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.18 | Num_heavy_atoms: | 29 |
| TPSA: | 261.19 | 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 |
AD06622
Formula: C2H9O9P3
Smiles:
COP(=O)(O)CP(=O)(O)OP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.01 | Num_heavy_atoms: | 14 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
