Glycoside
GD025288
Name:
NoneFormula:
C12H19O9N3Smiles:
O=[N+]([O-])c1nccn1CC(O)COC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COCC(O)Cn1ccnc1[N+](=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 349.3 | Num_heavy_atoms: | 24 |
| TPSA: | 180.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD16785
Formula: C7H11O4N3
Smiles:
COCC(O)Cn1ccnc1[N+](=O)[O-]| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 201.18 | Num_heavy_atoms: | 14 |
| TPSA: | 90.42 | NumAromaticRings: | 1 |
