Glycoside
GD014319
Name:
NoneFormula:
C11H18O12N5P3S2Smiles:
CSc1nc(N)c2ncn(C3O[C@H](CO[P@@](O)(=S)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(O)(=S)OP(=O)(O)OP(=O)(O)O.CSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 569.34 | Num_heavy_atoms: | 33 |
| TPSA: | 262.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00287
Formula: CH7O9P3S
Smiles:
COP(O)(=S)OP(=O)(O)OP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
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 |
