Glycoside
GD030394
Name:
NoneFormula:
C9H13O5NSSmiles:
CC(=O)c1ncc([C@H](O)[C@H](O)[C@H](O)CO)s1Aglycone:
CC(=O)c1nccs1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 247.27 | Num_heavy_atoms: | 16 |
| TPSA: | 110.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD19669
Formula: C5H5ONS
Smiles:
CC(=O)c1nccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.17 | Num_heavy_atoms: | 8 |
| TPSA: | 29.96 | NumAromaticRings: | 1 |
