Glycoside
GD035175
Name:
NoneFormula:
C24H39O13N5Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](COc4ccc([N+](=O)[O-])cc4)[C@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc([N+](=O)[O-])cc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.75 |
| AlogP: | -5.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 605.6 | Num_heavy_atoms: | 42 |
| TPSA: | 314.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD22272
Formula: C7H7O3N
Smiles:
COc1ccc([N+](=O)[O-])cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 52.37 | NumAromaticRings: | 1 |
