Glycoside
GD017425
Name:
NoneFormula:
C19H21O5N2ClSSmiles:
CSc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1Aglycone:
CSc1ccc(Cc2ccccc2Cl)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.9 | Num_heavy_atoms: | 27 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD12433
Formula: C13H11N2ClS
Smiles:
CSc1ccc(Cc2ccccc2Cl)nn1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.75 | Num_heavy_atoms: | 16 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
