Glycoside
GD058236
Name:
NoneFormula:
C14H27O7N2Smiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=[N+]([O-])CC1CCC([NH2+]CCO)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 335.38 | Num_heavy_atoms: | 23 |
| TPSA: | 138.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD29155
Formula: C8H17O3N2
Smiles:
O=[N+]([O-])CC1CCC([NH2+]CCO)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 189.23 | Num_heavy_atoms: | 13 |
| TPSA: | 79.98 | NumAromaticRings: | 0 |
