Glycoside
GD066263
Name:
NoneFormula:
C13H16O6N3ClSSmiles:
CSc1ncc(Cl)c(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)n1Aglycone:
CSc1ncc(Cl)c(CN)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 365.8 | Num_heavy_atoms: | 23 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD31774
Formula: C7H8N3ClS
Smiles:
CSc1ncc(Cl)c(CN)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 189.67 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
