Glycoside
GD028783
Name:
NoneFormula:
C20H21O6N2ClSSmiles:
O=C(NC[C@]1(O)CO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@H]1O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.CNS(=O)(=O)c1ccc(Cl)cc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.91 | Num_heavy_atoms: | 29 |
| TPSA: | 124.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD18767
Formula: C8H8O2NClS
Smiles:
CNS(=O)(=O)c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.67 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
