Glycoside
GD023858
Name:
NoneFormula:
C11H17O9N5P2S2Smiles:
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(S)OP(=O)(O)O.CSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.37 | Num_heavy_atoms: | 29 |
| TPSA: | 212.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00851
Formula: C6H6N5S
Smiles:
CSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.22 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05065
Formula: CH6O6P2S
Smiles:
COP(=O)(S)OP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.07 | Num_heavy_atoms: | 10 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
