Glycoside
GD016882
Name:
NoneFormula:
C23H31O9N3Smiles:
CCCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCCCCOC(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: | 0.57 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 493.51 | Num_heavy_atoms: | 35 |
| TPSA: | 177.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD12102
Formula: C18H23O5N3
Smiles:
CCCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 361.4 | Num_heavy_atoms: | 26 |
| TPSA: | 118.09 | NumAromaticRings: | 2 |
