Glycoside
GD018892
Name:
NoneFormula:
C11H18O10N6P2Smiles:
CNc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CNc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.25 | Num_heavy_atoms: | 29 |
| TPSA: | 244.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD12551
Formula: C6H7N6
Smiles:
CNc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
