Glycoside
GD039111
Name:
7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-guanosineFormula:
C22H32O18N10P3Smiles:
CO[C@H]1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@H]([n+]3cn(C)c4c(=O)[nH]c(N)nc43)[C@@H](O)[C@H]2O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Cn1c[nH+]c2nc(N)[nH]c(=O)c21.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 817.47 | Num_heavy_atoms: | 53 |
| TPSA: | 407.37 | NumAromaticRings: | 4 |
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 |
AD14176
Formula: C6H8ON5
Smiles:
Cn1c[nH+]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.84 | NumAromaticRings: | 2 |
