Glycoside
GD102318
Name:
NoneFormula:
C21H25O8NS2Smiles:
Cc1c(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cccc1S(C)(=O)=OAglycone:
Cc1c(C(=O)Nc2ccc(S)cc2)cccc1S(C)(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 483.56 | Num_heavy_atoms: | 32 |
| TPSA: | 153.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD43303
Formula: C15H15O3NS2
Smiles:
Cc1c(C(=O)Nc2ccc(S)cc2)cccc1S(C)(=O)=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.42 | Num_heavy_atoms: | 21 |
| TPSA: | 63.24 | NumAromaticRings: | 2 |
