Glycoside
GD037615
Name:
8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)Formula:
C14H23O15N6P3Smiles:
Nc1nc2c(nc(N3CCOCC3)n2[C@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C(N1CCOCC1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.29 | Num_heavy_atoms: | 38 |
| TPSA: | 311.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD23674
Formula: C9H11O2N6
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(N1CCOCC1)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 235.23 | Num_heavy_atoms: | 17 |
| TPSA: | 110.7 | NumAromaticRings: | 1 |
