Glycoside
GD090503
Name:
NoneFormula:
C18H22O5N6SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3csc(C)c3C)c(=N)nc21Aglycone:
Cc1scc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)c1CSugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.48 | Num_heavy_atoms: | 30 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD39372
Formula: C12H11ON6S
Smiles:
Cc1scc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)c1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 287.33 | Num_heavy_atoms: | 20 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
