Glycoside
GD074772
Name:
NoneFormula:
C16H27O8NSSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1(CC2CC2)CCS(=O)(=O)CC1Aglycone:
NC(=O)C1(CC2CC2)CCS(=O)(=O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 393.46 | Num_heavy_atoms: | 26 |
| TPSA: | 153.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD34569
Formula: C10H17O3NS
Smiles:
NC(=O)C1(CC2CC2)CCS(=O)(=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.32 | Num_heavy_atoms: | 15 |
| TPSA: | 77.23 | NumAromaticRings: | 0 |
