Glycoside
GD078464
Name:
NoneFormula:
C16H17O6NCl2SSmiles:
O=C(CSc1c(Cl)cccc1Cl)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CSc1c(Cl)cccc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.26 | Num_heavy_atoms: | 24 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD36034
Formula: C10H7ONCl2S
Smiles:
NC(=O)CSc1c(Cl)cccc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.12 | Num_heavy_atoms: | 13 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
