Glycoside
GD022838
Name:
NoneFormula:
C22H24O5N2SSmiles:
Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ncccn2)s1Aglycone:
Cc1ccccc1Cc1ccc(-c2ncccn2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.51 | Num_heavy_atoms: | 30 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD15432
Formula: C16H14N2S
Smiles:
Cc1ccccc1Cc1ccc(-c2ncccn2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.37 | Num_heavy_atoms: | 19 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
