Glycoside
GD062200
Name:
NoneFormula:
C15H16O4N4SSmiles:
C=CCSc1ncnc2c1c(C#N)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
C=CCSc1ncnc2c1C(C#N)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.38 | Num_heavy_atoms: | 24 |
| TPSA: | 124.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD30308
Formula: C10H7N4S
Smiles:
C=CCSc1ncnc2c1C(C#N)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 215.26 | Num_heavy_atoms: | 15 |
| TPSA: | 63.67 | NumAromaticRings: | 1 |
