Glycoside
GD078782
Name:
NoneFormula:
C19H29O7N2Smiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=[N+]([O-])c1ccc2c(c1)CCC([NH2+]CCO)CC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 397.45 | Num_heavy_atoms: | 28 |
| TPSA: | 138.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD36210
Formula: C13H19O3N2
Smiles:
O=[N+]([O-])c1ccc2c(c1)CCC([NH2+]CCO)CC2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 251.31 | Num_heavy_atoms: | 18 |
| TPSA: | 79.98 | NumAromaticRings: | 1 |
