Glycoside
GD092650
Name:
NoneFormula:
C17H15O8NCl2SSmiles:
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cc2sc(=O)oc2c(Cl)c1ClAglycone:
O=c1oc2c(Cl)c(Cl)c(O)cc2s1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.26 | Num_heavy_atoms: | 27 |
| TPSA: | 138.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD40351
Formula: C9H2O3Cl2S
Smiles:
O=c1oc2c(Cl)c(Cl)c(O)cc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.06 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
