Glycoside
GD090507
Name:
NoneFormula:
C18H22O5N6SSmiles:
CCc1cc(C(=O)n2c(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4OC)c3nc2=N)cs1Aglycone:
CCc1cc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cs1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.48 | Num_heavy_atoms: | 30 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD39375
Formula: C12H11ON6S
Smiles:
CCc1cc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cs1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 287.33 | Num_heavy_atoms: | 20 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
