Glycoside
GD017021
Name:
NoneFormula:
C23H24O6NClS2Smiles:
CCOc1cc(Cl)c(Cc2ncc(-c3ccsc3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCOc1ccc(Cc2ncc(-c3ccsc3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.02 | Num_heavy_atoms: | 32 |
| TPSA: | 112.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD12192
Formula: C17H14ONClS2
Smiles:
CCOc1ccc(Cc2ncc(-c3ccsc3)s2)c(Cl)c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.88 | Num_heavy_atoms: | 21 |
| TPSA: | 22.12 | NumAromaticRings: | 3 |
