Glycoside
GD081039
Name:
NoneFormula:
C19H24O7N4Smiles:
O=C(c1ccc(-c2cn(C[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)nn2)cc1)N1CCOCC1Aglycone:
Cn1cc(-c2ccc(C(=O)N3CCOCC3)cc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.42 | Num_heavy_atoms: | 30 |
| TPSA: | 150.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD36556
Formula: C14H16O2N4
Smiles:
Cn1cc(-c2ccc(C(=O)N3CCOCC3)cc2)nn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.31 | Num_heavy_atoms: | 20 |
| TPSA: | 60.25 | NumAromaticRings: | 2 |
