Glycoside
GD040215
Name:
2,2,7-trimethyl-guanosine-5'-triphosphate-5'-guanosineFormula:
C23H35O18N10P3Smiles:
CN(C)c1nc2c(c(=O)[nH]1)N(C)CN2[C@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
CN(C)c1nc2c(c(=O)[nH]1)N(C)CN2.COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 832.51 | Num_heavy_atoms: | 54 |
| TPSA: | 393.26 | NumAromaticRings: | 3 |
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 |
AD02306
Formula: C2H9O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.01 | Num_heavy_atoms: | 15 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
AD24698
Formula: C8H13ON5
Smiles:
CN(C)c1nc2c(c(=O)[nH]1)N(C)CN2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.23 | Num_heavy_atoms: | 14 |
| TPSA: | 64.26 | NumAromaticRings: | 1 |
