Glycoside
GD115101
Name:
NoneFormula:
C19H29O7N3SSmiles:
COc1ccccc1N1CCN(C(=O)CC2OC(CNS(C)(=O)=O)C(O)C2O)CC1Aglycone:
CNS(C)(=O)=O.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.52 | Num_heavy_atoms: | 30 |
| TPSA: | 128.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD05521
Formula: C2H7O2NS
Smiles:
CNS(C)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
