Glycoside
GD026451
Name:
NoneFormula:
C13H16O5N2Smiles:
C=Cc1c([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccnc1C(N)=OAglycone:
C=Cc1cccnc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 280.28 | Num_heavy_atoms: | 20 |
| TPSA: | 125.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD17436
Formula: C8H8ON2
Smiles:
C=Cc1cccnc1C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
