Glycoside
GD078585
Name:
NoneFormula:
C19H22O5N3ClSmiles:
Cc1c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nnc(-c2ccc(Cl)cc2)c1CAglycone:
Cc1c(N)nnc(-c2ccc(Cl)cc2)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.84 | Num_heavy_atoms: | 27 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD36109
Formula: C13H12N3Cl
Smiles:
Cc1c(N)nnc(-c2ccc(Cl)cc2)c1C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 233.7 | Num_heavy_atoms: | 16 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
