Glycoside
GD083726
Name:
NoneFormula:
C17H20O8N2SSmiles:
COc1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)on1Aglycone:
COc1cc(C(=O)Nc2ccc(S)cc2)on1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.42 | Num_heavy_atoms: | 28 |
| TPSA: | 154.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD37329
Formula: C11H10O3N2S
Smiles:
COc1cc(C(=O)Nc2ccc(S)cc2)on1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.36 | NumAromaticRings: | 2 |
