Glycoside
GD091097
Name:
NoneFormula:
C22H25O6N3Smiles:
Cc1ccc2nc(-c3ccccc3)c(CC(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)n2c1Aglycone:
Cc1ccc2nc(-c3ccccc3)c(CC(N)=O)n2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.46 | Num_heavy_atoms: | 31 |
| TPSA: | 136.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD39703
Formula: C16H15ON3
Smiles:
Cc1ccc2nc(-c3ccccc3)c(CC(N)=O)n2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.32 | Num_heavy_atoms: | 20 |
| TPSA: | 60.39 | NumAromaticRings: | 3 |
