Glycoside
GD071428
Name:
NoneFormula:
C18H27O6N3Smiles:
CN1CCN(c2cccc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2)CC1Aglycone:
CN1CCN(c2cccc(CN)c2)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 381.43 | Num_heavy_atoms: | 27 |
| TPSA: | 133.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD33583
Formula: C12H19N3
Smiles:
CN1CCN(c2cccc(CN)c2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.3 | Num_heavy_atoms: | 15 |
| TPSA: | 32.5 | NumAromaticRings: | 1 |
