Glycoside
GD028742
Name:
NoneFormula:
C12H17O6NSSmiles:
O=C(NC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cccs1Aglycone:
CNC(=O)c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 303.34 | Num_heavy_atoms: | 20 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD18746
Formula: C6H7ONS
Smiles:
CNC(=O)c1cccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 141.19 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
