Glycoside
GD083295
Name:
NoneFormula:
C21H31O6N2Smiles:
O=C(C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1ccc(C[NH+]2CCC3CNCCC3C2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.49 | Num_heavy_atoms: | 29 |
| TPSA: | 122.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD37196
Formula: C15H23N2
Smiles:
c1ccc(C[NH+]2CCC3CNCCC3C2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 231.36 | Num_heavy_atoms: | 17 |
| TPSA: | 16.47 | NumAromaticRings: | 1 |
