Glycoside
GD056387
Name:
NoneFormula:
C13H20O7N2SSmiles:
NC(=O)[C@@H]1CCSC12CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2Aglycone:
NC(=O)C1CCSC12CNC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 348.38 | Num_heavy_atoms: | 23 |
| TPSA: | 161.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD28353
Formula: C7H12ON2S
Smiles:
NC(=O)C1CCSC12CNC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.25 | Num_heavy_atoms: | 11 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
