Glycoside
GD066461
Name:
NoneFormula:
C14H19O8NSSmiles:
CCc1cc(C(=O)OC)c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)s1Aglycone:
CCc1cc(C(=O)OC)c(N)s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 361.37 | Num_heavy_atoms: | 24 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD31823
Formula: C8H11O2NS
Smiles:
CCc1cc(C(=O)OC)c(N)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.25 | Num_heavy_atoms: | 12 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
