Glycoside
GD048433
Name:
NoneFormula:
C13H19O6NSSmiles:
CN(CCc1cccs1)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
CNCCc1cccs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 317.36 | Num_heavy_atoms: | 21 |
| TPSA: | 118.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD02193
Formula: C7H11NS
Smiles:
CNCCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 141.24 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
