Glycoside
GD001649
Name:
NoneFormula:
C22H28O6NClSSmiles:
CCCCCOc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCCCOc1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 457.98 | Num_heavy_atoms: | 30 |
| TPSA: | 112.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD01632
Formula: C16H18ONClS
Smiles:
CCCCCOc1cnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 295.84 | Num_heavy_atoms: | 19 |
| TPSA: | 22.12 | NumAromaticRings: | 2 |
