Glycoside
GD023123
Name:
NoneFormula:
C22H28O5NClSSmiles:
CCCCCc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCCCc1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 441.98 | Num_heavy_atoms: | 29 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD15587
Formula: C16H18NClS
Smiles:
CCCCCc1cnc(Cc2ccccc2Cl)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 279.84 | Num_heavy_atoms: | 18 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
