Glycoside
GD010326
Name:
NoneFormula:
C10H12O13N5P3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 503.15 | Num_heavy_atoms: | 31 |
| TPSA: | 290.45 | NumAromaticRings: | 2 |
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 |
AD01781
Formula: CH3O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]| HBA: | 10 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.95 | Num_heavy_atoms: | 14 |
| TPSA: | 171.14 | NumAromaticRings: | 0 |
