Glycoside
GD028836
Name:
GUANIDINETRIPHOSPHATEFormula:
C10H18O14N5P3Smiles:
Nc1nc2c(c(=O)[nH]1)NCN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)NCN2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 525.2 | Num_heavy_atoms: | 32 |
| TPSA: | 296.55 | NumAromaticRings: | 1 |
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 |
AD18799
Formula: C5H7ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)NCN2| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 95.83 | NumAromaticRings: | 1 |
