Glycoside
GD084558
Name:
NoneFormula:
C17H20O5N6SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3ccsc3C)c(=N)nc21Aglycone:
Cc1sccc1C(=O)n1c(N)c2c(nc1=N)[N]C=N2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.45 | Num_heavy_atoms: | 29 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD37783
Formula: C11H9ON6S
Smiles:
Cc1sccc1C(=O)n1c(N)c2c(nc1=N)[N]C=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.3 | Num_heavy_atoms: | 19 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
