Glycoside
GD088825
Name:
NoneFormula:
C15H21O10N5Smiles:
CC(=O)O[C@H](CO)[C@H](OC(C)=O)[C@@H](CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-])OC(C)=OAglycone:
CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]Sugarmoiety:
CC(=O)OC(O)C(OC(C)=O)C(CO)OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 431.36 | Num_heavy_atoms: | 30 |
| TPSA: | 226.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD38866
Formula: C5H7O3N5
Smiles:
CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.14 | Num_heavy_atoms: | 13 |
| TPSA: | 126.94 | NumAromaticRings: | 1 |
