Glycoside
GD011712
Name:
NoneFormula:
C21H26O7N2Smiles:
NCCNC(=O)c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
NCCNC(=O)c1cccc(-c2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.45 | Num_heavy_atoms: | 30 |
| TPSA: | 154.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD08920
Formula: C15H16O2N2
Smiles:
NCCNC(=O)c1cccc(-c2ccc(O)cc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.31 | Num_heavy_atoms: | 19 |
| TPSA: | 75.35 | NumAromaticRings: | 2 |
