Glycoside
GD018652
Name:
NoneFormula:
C11H16O7N5PSmiles:
Cn1cnc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1=NAglycone:
COP(=O)(O)O.Cn1cnc2c(c1=N)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.25 | Num_heavy_atoms: | 24 |
| TPSA: | 175.94 | 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 |
AD04672
Formula: C6H6N5
Smiles:
Cn1cnc2c(c1=N)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 68.13 | NumAromaticRings: | 1 |
