Glycoside
GD040312
Name:
cytosine 5'-[gamma-thio]triphosphateFormula:
C9H16O13N3P3SSmiles:
Nc1ccn([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)S)[C@H](O)[C@@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)S.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 499.22 | Num_heavy_atoms: | 29 |
| TPSA: | 250.19 | 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 |
AD19250
Formula: CH7O9P3S
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)S| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
