Glycoside
GD084455
Name:
NoneFormula:
C15H18O7N2Cl2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(Cl)nc2Cl)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(Cl)nc1ClSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.27 | Num_heavy_atoms: | 25 |
| TPSA: | 138.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD37718
Formula: C9H8O3N2Cl2S
Smiles:
O=S(=O)(NCCO)c1ccc(Cl)nc1Cl| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 271.12 | Num_heavy_atoms: | 15 |
| TPSA: | 79.29 | NumAromaticRings: | 1 |
