Glycoside
GD035104
Name:
NoneFormula:
C11H20O14N5P3Smiles:
CN1CN([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
CN1CNc2nc(N)[nH]c(=O)c21.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 539.22 | Num_heavy_atoms: | 33 |
| TPSA: | 287.76 | 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 |
AD03951
Formula: C6H9ON5
Smiles:
CN1CNc2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.17 | Num_heavy_atoms: | 12 |
| TPSA: | 87.04 | NumAromaticRings: | 1 |
