Glycoside
GD047323
Name:
NoneFormula:
C11H16O4N5SSmiles:
C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=S)c21Aglycone:
C[N+]1=C[N]c2nc(N)[nH]c(=S)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.35 | Num_heavy_atoms: | 21 |
| TPSA: | 133.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD25461
Formula: C6H7N5S
Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=S)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 181.22 | Num_heavy_atoms: | 12 |
| TPSA: | 71.81 | NumAromaticRings: | 1 |
