Glycoside
GD028216
Name:
NoneFormula:
C25H26O6NClS2Smiles:
C=CCOCc1cc(Cl)c(Cc2ncc(-c3cccs3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CCOCc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.06 | Num_heavy_atoms: | 34 |
| TPSA: | 112.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD18467
Formula: C19H16ONClS2
Smiles:
C=CCOCc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 361.92 | Num_heavy_atoms: | 23 |
| TPSA: | 22.12 | NumAromaticRings: | 3 |
