Glycoside
GD123647
Name:
{[6-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}phosphonic acidFormula:
C13H19O10N4PSmiles:
Cn1c(=O)c2ncn(C3OC(COP(=O)(O)O)C(O)C(O)C3O)c2n(C)c1=OAglycone:
COP(=O)(O)O.Cn1c2c(c(=O)n(C)c1=O)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.29 | Num_heavy_atoms: | 28 |
| TPSA: | 198.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD49920
Formula: C7H7O2N4
Smiles:
Cn1c2c(c(=O)n(C)c1=O)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 179.16 | Num_heavy_atoms: | 13 |
| TPSA: | 70.46 | NumAromaticRings: | 1 |
