Glycoside
GD095020
Name:
NoneFormula:
C21H27O8N2ClSSmiles:
O=C(C(=O)N1CC[C@@H]2CN(Cc3ccc(Cl)cc3)S(=O)(=O)[C@@H]2CC1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=S1(=O)C2CCNCCC2CN1Cc1ccc(Cl)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.96 | Num_heavy_atoms: | 32 |
| TPSA: | 155.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD40593
Formula: C15H19O2N2ClS
Smiles:
O=S1(=O)C2CCNCCC2CN1Cc1ccc(Cl)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.84 | Num_heavy_atoms: | 20 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
