Glycoside
GD092019
Name:
NoneFormula:
C22H35O7N2Smiles:
C[C@@H]1O[C@@H](OCC[NH2+]C2CCN(CC(=O)OCc3ccccc3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CN1CCC([NH2+]CCO)CC1)OCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 439.53 | Num_heavy_atoms: | 31 |
| TPSA: | 125.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD40162
Formula: C16H25O3N2
Smiles:
O=C(CN1CCC([NH2+]CCO)CC1)OCc1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 293.39 | Num_heavy_atoms: | 21 |
| TPSA: | 66.38 | NumAromaticRings: | 1 |
