Glycoside
GD092216
Name:
NoneFormula:
C16H19O8NCl2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2cc(Cl)cc(Cl)c2O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1cc(Cl)cc(Cl)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.28 | Num_heavy_atoms: | 26 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD40247
Formula: C10H9O4NCl2S
Smiles:
O=S(=O)(NCCO)c1cc(Cl)cc(Cl)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.14 | Num_heavy_atoms: | 16 |
| TPSA: | 86.63 | NumAromaticRings: | 1 |
