Glycoside
GD008424
Name:
NoneFormula:
C16H18O5N4SSmiles:
COc1nc(N)nc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COc1nc(N)nc2c1C(c1cccs1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.41 | Num_heavy_atoms: | 26 |
| TPSA: | 135.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD06728
Formula: C11H9ON4S
Smiles:
COc1nc(N)nc2c1C(c1cccs1)=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.29 | Num_heavy_atoms: | 17 |
| TPSA: | 75.13 | NumAromaticRings: | 2 |
