Glycoside
GD102584
Name:
NoneFormula:
C19H19O5N6ClSSmiles:
COc1ccccc1NC(=S)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COc1ccccc1NC(=S)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.91 | Num_heavy_atoms: | 31 |
| TPSA: | 146.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD43424
Formula: C14H10ON6ClS
Smiles:
COc1ccccc1NC(=S)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.78 | Num_heavy_atoms: | 22 |
| TPSA: | 85.53 | NumAromaticRings: | 2 |
