Glycoside
GD038214
Name:
5'-o-[(dithiophosphono)]cytidineFormula:
C9H14O6N3PS2Smiles:
Nc1ccn([C@H]2O[C@H](COP(O)(=S)S)[C@H](O)[C@@H]2O)c(=O)n1Aglycone:
COP(O)(=S)S.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 355.33 | Num_heavy_atoms: | 21 |
| TPSA: | 140.06 | 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 |
AD05544
Formula: CH5O2PS2
Smiles:
COP(O)(=S)S| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.16 | Num_heavy_atoms: | 6 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
