Glycoside
GD001624
Name:
NoneFormula:
C22H29O7NSSmiles:
Cc1cc(-c2ccc(=O)n(CC(C)(C)O)c2)ccc1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1cc(-c2ccc(=O)n(CC(C)(C)O)c2)ccc1SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.54 | Num_heavy_atoms: | 31 |
| TPSA: | 132.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD01610
Formula: C16H19O2NS
Smiles:
Cc1cc(-c2ccc(=O)n(CC(C)(C)O)c2)ccc1S| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.4 | Num_heavy_atoms: | 20 |
| TPSA: | 42.23 | NumAromaticRings: | 2 |
