Glycoside
GD096125
Name:
NoneFormula:
C22H25O10NSSmiles:
COC(=O)/C=C/c1cccc(S(=O)(=O)Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1Aglycone:
COC(=O)C=Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.51 | Num_heavy_atoms: | 34 |
| TPSA: | 171.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD40883
Formula: C16H15O5NS
Smiles:
COC(=O)C=Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 333.37 | Num_heavy_atoms: | 23 |
| TPSA: | 92.7 | NumAromaticRings: | 2 |
