Glycoside
GD008458
Name:
NoneFormula:
C14H21O8N6PSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)SCC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)SCCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 464.4 | Num_heavy_atoms: | 30 |
| TPSA: | 229.16 | 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 |
AD06752
Formula: C5H12O5NPS
Smiles:
COP(=O)(O)SCCC(N)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 229.19 | Num_heavy_atoms: | 13 |
| TPSA: | 109.85 | NumAromaticRings: | 0 |
