Glycoside
GD073266
Name:
NoneFormula:
C15H21O8NSSmiles:
CCS(=O)(=O)c1ccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1Aglycone:
CCS(=O)(=O)c1ccc(CN)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 375.4 | Num_heavy_atoms: | 25 |
| TPSA: | 161.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD34003
Formula: C9H13O2NS
Smiles:
CCS(=O)(=O)c1ccc(CN)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 199.27 | Num_heavy_atoms: | 13 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
