Glycoside
GD063014
Name:
NoneFormula:
C13H18O6N4SSmiles:
CCS(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCS(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.38 | Num_heavy_atoms: | 24 |
| TPSA: | 146.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD30386
Formula: C8H9O2N4S
Smiles:
CCS(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 225.25 | Num_heavy_atoms: | 15 |
| TPSA: | 86.05 | NumAromaticRings: | 1 |
