Glycoside
GD002501
Name:
NoneFormula:
C19H22O5NClS2Smiles:
CCSc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCSc1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.96 | Num_heavy_atoms: | 27 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD02383
Formula: C13H12NClS2
Smiles:
CCSc1cnc(Cc2ccccc2Cl)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.82 | Num_heavy_atoms: | 16 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
