Glycoside
GD010476
Name:
NoneFormula:
C17H18O5NClSSmiles:
OC[C@@H]1O[C@H](c2ncc(Cc3ccc(Cl)cc3)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccc(Cc2cncs2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.84 | Num_heavy_atoms: | 24 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD08084
Formula: C11H8NClS
Smiles:
Clc1ccc(Cc2cncs2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.7 | Num_heavy_atoms: | 13 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
