Glycoside
GD027452
Name:
NoneFormula:
C19H20O5N3ClSSmiles:
OC[C@@H]1O[C@H](Cc2cn(Cc3cc4ccc(Cl)cc4s3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1cn(Cc2cc3ccc(Cl)cc3s2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.89 | Num_heavy_atoms: | 28 |
| TPSA: | 120.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD18043
Formula: C13H10N3ClS
Smiles:
Cc1cn(Cc2cc3ccc(Cl)cc3s2)nn1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.75 | Num_heavy_atoms: | 17 |
| TPSA: | 30.71 | NumAromaticRings: | 3 |
