Glycoside
GD017666
Name:
NoneFormula:
C22H28O5NClS2Smiles:
CCCCCSc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCCCSc1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 474.04 | Num_heavy_atoms: | 30 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD12588
Formula: C16H18NClS2
Smiles:
CCCCCSc1cnc(Cc2ccccc2Cl)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 311.9 | Num_heavy_atoms: | 19 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
