Glycoside
GD100178
Name:
NoneFormula:
C16H18O7NCl2SBrSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1c(Cl)cc(Br)cc1ClSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.18 | Num_heavy_atoms: | 26 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD42335
Formula: C10H8O3NCl2SBr
Smiles:
O=S(=O)(NCCO)c1c(Cl)cc(Br)cc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.03 | Num_heavy_atoms: | 16 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
