Glycoside
GD082405
Name:
NoneFormula:
C19H36O7N3Smiles:
O=C(C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
C(CNCC1CC[NH2+]CC1)CN1CCOCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 418.51 | Num_heavy_atoms: | 29 |
| TPSA: | 147.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD37034
Formula: C13H28ON3
Smiles:
C(CNCC1CC[NH2+]CC1)CN1CCOCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.39 | Num_heavy_atoms: | 17 |
| TPSA: | 41.11 | NumAromaticRings: | 0 |
