Glycoside
GD083251
Name:
NoneFormula:
C18H28O6N2SSmiles:
CCN(CC)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCN(CC)CC(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 400.5 | Num_heavy_atoms: | 27 |
| TPSA: | 122.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD37176
Formula: C12H18ON2S
Smiles:
CCN(CC)CC(=O)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.36 | Num_heavy_atoms: | 16 |
| TPSA: | 32.34 | NumAromaticRings: | 1 |
