Glycoside
GD102141
Name:
NoneFormula:
C21H25O8NSSmiles:
CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 153.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD43228
Formula: C15H17O2NS
Smiles:
CCOC(=O)c1c(-c2ccc(CC)cc2)csc1N| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 275.37 | Num_heavy_atoms: | 19 |
| TPSA: | 52.32 | NumAromaticRings: | 2 |
