Glycoside
GD001446
Name:
NoneFormula:
C21H20O7NClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ncc(-c4ccco4)s3)c(Cl)cc2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.9 | Num_heavy_atoms: | 30 |
| TPSA: | 136.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD01451
Formula: C15H10O2NClS
Smiles:
Oc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.76 | Num_heavy_atoms: | 19 |
| TPSA: | 46.26 | NumAromaticRings: | 3 |
