Glycoside
GD094297
Name:
NoneFormula:
C17H20O10NClSSmiles:
O=C1C[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c2ccc(Cl)cc21Aglycone:
COS(O)(O)O.NC(=O)C1CC(=O)c2cc(Cl)ccc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.85 | Num_heavy_atoms: | 29 |
| TPSA: | 186.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD30928
Formula: C11H8O2NCl
Smiles:
NC(=O)C1CC(=O)c2cc(Cl)ccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 209.63 | Num_heavy_atoms: | 14 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
