Glycoside
GD030142
Name:
NoneFormula:
C17H21O6N2ClSSmiles:
O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@H](O)[C@H]1O)NC1CC1Aglycone:
CC(=O)NC1CC1.CNS(=O)(=O)c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.87 | Num_heavy_atoms: | 26 |
| TPSA: | 124.96 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD19521
Formula: C5H9ON
Smiles:
CC(=O)NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
