Glycoside
GD046022
Name:
NoneFormula:
C13H14O6N2Smiles:
O[C@H]1[C@@H](O)[C@@H](c2nnc(-c3ccccc3)o2)O[C@@H](O)[C@@H]1OAglycone:
c1ccc(-c2nnco2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.26 | Num_heavy_atoms: | 21 |
| TPSA: | 129.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD05759
Formula: C8H6ON2
Smiles:
c1ccc(-c2nnco2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.15 | Num_heavy_atoms: | 11 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
