Glycoside
GD056097
Name:
NoneFormula:
C14H22O7N2Smiles:
CN1CC[C@]2(CCCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1=OAglycone:
CN1CCC2(CCCN2)C1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.34 | Num_heavy_atoms: | 23 |
| TPSA: | 138.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD28219
Formula: C8H14ON2
Smiles:
CN1CCC2(CCCN2)C1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.21 | Num_heavy_atoms: | 11 |
| TPSA: | 32.34 | NumAromaticRings: | 0 |
