Glycoside
GD013025
Name:
NoneFormula:
C24H22O7NClSSmiles:
C#CCOc1cc(Cl)c(Cc2ncc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C#CCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.95 | Num_heavy_atoms: | 33 |
| TPSA: | 125.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD09773
Formula: C18H12O2NClS
Smiles:
C#CCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 329.81 | Num_heavy_atoms: | 22 |
| TPSA: | 35.26 | NumAromaticRings: | 3 |
