Glycoside
GD102473
Name:
NoneFormula:
C22H27O8NSSmiles:
COc1cccc(CC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1OCAglycone:
COc1cccc(CC(=O)Nc2ccc(S)cc2)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.52 | Num_heavy_atoms: | 32 |
| TPSA: | 137.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD43374
Formula: C16H17O3NS
Smiles:
COc1cccc(CC(=O)Nc2ccc(S)cc2)c1OC| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 303.38 | Num_heavy_atoms: | 21 |
| TPSA: | 47.56 | NumAromaticRings: | 2 |
