Glycoside
GD021617
Name:
NoneFormula:
C20H24O5NClS2Smiles:
CCCSc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CCCSc1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 445.99 | Num_heavy_atoms: | 28 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD14751
Formula: C14H14NClS2
Smiles:
CCCSc1cnc(Cc2ccccc2Cl)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 283.85 | Num_heavy_atoms: | 17 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
