Glycoside
GD022329
Name:
NoneFormula:
C10H12O13N5P3SSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -4.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 535.22 | Num_heavy_atoms: | 32 |
| TPSA: | 293.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD15152
Formula: CH3O9P3S
Smiles:
COP(=O)([O-])OP(=O)([O-])OP([O-])([O-])=S| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.01 | Num_heavy_atoms: | 14 |
| TPSA: | 154.07 | NumAromaticRings: | 0 |
