Glycoside
GD091327
Name:
NoneFormula:
C19H25O7N3SSmiles:
CCOc1c(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)cnn1CAglycone:
CCOc1c(C(=O)Nc2ccc(S)cc2)cnn1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.49 | Num_heavy_atoms: | 30 |
| TPSA: | 146.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD39842
Formula: C13H15O2N3S
Smiles:
CCOc1c(C(=O)Nc2ccc(S)cc2)cnn1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 277.35 | Num_heavy_atoms: | 19 |
| TPSA: | 56.15 | NumAromaticRings: | 2 |
