Glycoside
GD038269
Name:
[(2r,3s,4r,5r)-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphateFormula:
C11H15O8N4PSmiles:
Cn1cnc2c(ncn2[C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1=OAglycone:
COP(=O)(O)O.Cn1cnc2c(c1=O)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.24 | Num_heavy_atoms: | 24 |
| TPSA: | 169.16 | 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 |
AD22588
Formula: C6H5ON4
Smiles:
Cn1cnc2c(c1=O)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 61.35 | NumAromaticRings: | 1 |
