Glycoside
GD035628
Name:
NoneFormula:
C23H21O5NFClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(-c4ccc(F)cc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Fc1ccc(-c2cnc(Cc3ccccc3Cl)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.93 | Num_heavy_atoms: | 31 |
| TPSA: | 103.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD22532
Formula: C17H11NFClS
Smiles:
Fc1ccc(-c2cnc(Cc3ccccc3Cl)s2)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.79 | Num_heavy_atoms: | 20 |
| TPSA: | 12.89 | NumAromaticRings: | 3 |
