Glycoside
GD095139
Name:
NoneFormula:
C15H18O8NSBrSmiles:
O=C(N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NC1CCS(=O)(=O)c2ccc(Br)cc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.28 | Num_heavy_atoms: | 26 |
| TPSA: | 161.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD40622
Formula: C9H10O2NSBr
Smiles:
NC1CCS(=O)(=O)c2ccc(Br)cc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 276.16 | Num_heavy_atoms: | 14 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
