Glycoside
GD020416
Name:
NoneFormula:
C11H15O7N4PSSmiles:
Cn1cnc2c(ncn2C2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1=SAglycone:
COP(=O)(O)O.Cn1cnc2c(c1=S)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.3 | Num_heavy_atoms: | 24 |
| TPSA: | 152.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD14095
Formula: C6H5N4S
Smiles:
Cn1cnc2c(c1=S)N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.2 | Num_heavy_atoms: | 11 |
| TPSA: | 44.28 | NumAromaticRings: | 1 |
