Glycoside
GD022513
Name:
NoneFormula:
C24H24O7NClSSmiles:
C=CCOc1cc(Cl)c(Cc2ncc(-c3ccoc3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CCOc1ccc(Cc2ncc(-c3ccoc3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 493.97 | Num_heavy_atoms: | 33 |
| TPSA: | 125.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD15249
Formula: C18H14O2NClS
Smiles:
C=CCOc1ccc(Cc2ncc(-c3ccoc3)s2)c(Cl)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 331.82 | Num_heavy_atoms: | 22 |
| TPSA: | 35.26 | NumAromaticRings: | 3 |
