Glycoside
GD037668
Name:
gamma-deoxy-gamma-sulfo-guanosine-5'-triphosphateFormula:
C10H16O13N5P3SSmiles:
Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(O)(O)=S)C(O)C2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(O)(O)=S.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 539.25 | Num_heavy_atoms: | 32 |
| TPSA: | 282.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD02456
Formula: CH7O9P3S
Smiles:
COP(=O)(O)OP(=O)(O)OP(O)(O)=S| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
