Glycoside
GD006683
Name:
NoneFormula:
C13H17O5N5SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCC(=O)O)[C@H](O)[C@H]1OAglycone:
CSCCC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 355.38 | Num_heavy_atoms: | 24 |
| TPSA: | 156.61 | 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 |
AD05499
Formula: C4H8O2S
Smiles:
CSCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 120.17 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
