Glycoside
GD089731
Name:
NoneFormula:
C18H20O5N6SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3cccc(S)c3)c(=N)nc21Aglycone:
N=c1nc2c(c(N)n1C(=O)c1cccc(S)c1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.46 | Num_heavy_atoms: | 30 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD39105
Formula: C12H9ON6S
Smiles:
N=c1nc2c(c(N)n1C(=O)c1cccc(S)c1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 285.31 | Num_heavy_atoms: | 20 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
