Glycoside
GD075925
Name:
NoneFormula:
C12H18O8N4SSmiles:
COc1nc(SC)nc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]Aglycone:
COc1nc(SC)nc(N)c1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.36 | Num_heavy_atoms: | 25 |
| TPSA: | 180.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD35139
Formula: C6H8O3N4S
Smiles:
COc1nc(SC)nc(N)c1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 216.22 | Num_heavy_atoms: | 14 |
| TPSA: | 104.17 | NumAromaticRings: | 1 |
