Glycoside
GD098077
Name:
NoneFormula:
C13H16O4N5SISmiles:
CNC(=S)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CNC(=S)Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 465.27 | Num_heavy_atoms: | 24 |
| TPSA: | 124.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD41730
Formula: C8H7N5SI
Smiles:
CNC(=S)Nc1ncnc2c1C(I)=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.15 | Num_heavy_atoms: | 15 |
| TPSA: | 63.94 | NumAromaticRings: | 1 |
