Glycoside
GD022073
Name:
NoneFormula:
C16H18O4N4SSmiles:
Cc1nc(N)c2c(-c3cccs3)cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Cc1nc(N)c2c(n1)[N]C=C2c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.41 | Num_heavy_atoms: | 25 |
| TPSA: | 126.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD15009
Formula: C11H9N4S
Smiles:
Cc1nc(N)c2c(n1)[N]C=C2c1cccs1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 229.29 | Num_heavy_atoms: | 16 |
| TPSA: | 65.9 | NumAromaticRings: | 2 |
