Glycoside
GD012139
Name:
NoneFormula:
C22H22O7NClSSmiles:
COc1cc(Cl)c(Cc2ncc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.93 | Num_heavy_atoms: | 31 |
| TPSA: | 125.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD09171
Formula: C16H12O2NClS
Smiles:
COc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.79 | Num_heavy_atoms: | 20 |
| TPSA: | 35.26 | NumAromaticRings: | 3 |
