Glycoside
GD001489
Name:
NoneFormula:
C20H24O10N10PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 595.45 | Num_heavy_atoms: | 41 |
| TPSA: | 297.21 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01488
Formula: C2H6O4P
Smiles:
COP(=O)([O-])OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 125.04 | Num_heavy_atoms: | 7 |
| TPSA: | 58.59 | NumAromaticRings: | 0 |
