Glycoside
GD012964
Name:
NoneFormula:
C20H23O5N2ClSSmiles:
CCSc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1Aglycone:
CCSc1ccc(Cc2ccccc2Cl)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.92 | Num_heavy_atoms: | 28 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD09731
Formula: C14H13N2ClS
Smiles:
CCSc1ccc(Cc2ccccc2Cl)nn1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.23 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.78 | Num_heavy_atoms: | 17 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
