Glycoside
GD117333
Name:
Guanosine TetraphosphateFormula:
C10H17O17N5P4Smiles:
N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)O.N=c1nc(O)c2c([nH]1)[N]C=N2.O=P(O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 603.16 | Num_heavy_atoms: | 36 |
| TPSA: | 346.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD20397
Formula: H4O7P2
Smiles:
O=P(O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.97 | Num_heavy_atoms: | 9 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
