Glycoside
GD010255
Name:
NoneFormula:
C24H33O9N3Smiles:
CCCCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 13 |
| MolWt: | 507.54 | Num_heavy_atoms: | 36 |
| TPSA: | 177.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD07951
Formula: C19H25O5N3
Smiles:
CCCCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 375.43 | Num_heavy_atoms: | 27 |
| TPSA: | 118.09 | NumAromaticRings: | 2 |
