Glycoside
GD011076
Name:
NoneFormula:
C24H25O6NSSmiles:
Cc1cc(-c2ccc(=O)n(-c3ccccc3)c2)ccc1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1cc(-c2ccc(=O)n(-c3ccccc3)c2)ccc1SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 455.53 | Num_heavy_atoms: | 32 |
| TPSA: | 112.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD08490
Formula: C18H15ONS
Smiles:
Cc1cc(-c2ccc(=O)n(-c3ccccc3)c2)ccc1S| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 293.39 | Num_heavy_atoms: | 21 |
| TPSA: | 22.0 | NumAromaticRings: | 3 |
