Glycoside
GD038194
Name:
3-(guanosine-5'-diphospho)-d-glycerateFormula:
C13H19O14N5P2Smiles:
Nc1nc2c(ncn2[C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)C(=O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OCC(O)C(=O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 531.26 | Num_heavy_atoms: | 34 |
| TPSA: | 299.1 | 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 |
AD23896
Formula: C4H10O10P2
Smiles:
COP(=O)(O)OP(=O)(O)OCC(O)C(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 280.06 | Num_heavy_atoms: | 16 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
