Glycoside
GD091141
Name:
NoneFormula:
C19H28O7N2SSmiles:
C[C@@H](C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)N1CCOCC1Aglycone:
CC(C(=O)Nc1ccc(S)cc1)N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.51 | Num_heavy_atoms: | 29 |
| TPSA: | 131.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD39728
Formula: C13H18O2N2S
Smiles:
CC(C(=O)Nc1ccc(S)cc1)N1CCOCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.37 | Num_heavy_atoms: | 18 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
