Glycoside
GD083585
Name:
NoneFormula:
C21H27O6N3Smiles:
Cn1cc(-c2ccc(C3CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC3)cc2)cn1Aglycone:
Cn1cc(-c2ccc(C3CCNCC3)cc2)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.46 | Num_heavy_atoms: | 30 |
| TPSA: | 136.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD37287
Formula: C15H19N3
Smiles:
Cn1cc(-c2ccc(C3CCNCC3)cc2)cn1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.34 | Num_heavy_atoms: | 18 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
