Glycoside
GD070442
Name:
NoneFormula:
C17H18O4N4SSmiles:
Cc1ccccc1Sc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1ccccc1Sc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.42 | Num_heavy_atoms: | 26 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD33387
Formula: C12H9N4S
Smiles:
Cc1ccccc1Sc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.3 | Num_heavy_atoms: | 17 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
