Glycoside
GD002268
Name:
NoneFormula:
C14H17O6N3S2Smiles:
CC(=O)c1sc2nc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)n(N)c(=O)c2c1CAglycone:
CC(=O)c1sc2nc(S)n(N)c(=O)c2c1CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.44 | Num_heavy_atoms: | 25 |
| TPSA: | 147.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD02113
Formula: C9H9O2N3S2
Smiles:
CC(=O)c1sc2nc(S)n(N)c(=O)c2c1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 255.32 | Num_heavy_atoms: | 16 |
| TPSA: | 77.98 | NumAromaticRings: | 2 |
