Glycoside
GD075385
Name:
NoneFormula:
C16H22O7N2SSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]1CC(=O)N(Cc2cccs2)C1Aglycone:
NC(=O)C1CC(=O)N(Cc2cccs2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.43 | Num_heavy_atoms: | 26 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD34910
Formula: C10H12O2N2S
Smiles:
NC(=O)C1CC(=O)N(Cc2cccs2)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.29 | Num_heavy_atoms: | 15 |
| TPSA: | 63.4 | NumAromaticRings: | 1 |
