Glycoside
GD102016
Name:
NoneFormula:
C22H27O8NSSmiles:
COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 465.52 | Num_heavy_atoms: | 32 |
| TPSA: | 153.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD43193
Formula: C16H19O2NS
Smiles:
COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1N| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.4 | Num_heavy_atoms: | 20 |
| TPSA: | 52.32 | NumAromaticRings: | 2 |
