Glycoside
GD088072
Name:
NoneFormula:
C17H23O6N4ClSSmiles:
CSc1nc(Cl)cc(N2CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)n1Aglycone:
CSc1nc(Cl)cc(N2CCCNCC2)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.9 | Num_heavy_atoms: | 28 |
| TPSA: | 147.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD38582
Formula: C11H15N4ClS
Smiles:
CSc1nc(Cl)cc(N2CCCNCC2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.78 | Num_heavy_atoms: | 16 |
| TPSA: | 41.05 | NumAromaticRings: | 1 |
