Glycoside
GD068342
Name:
NoneFormula:
C16H18O7N2Smiles:
O[C@H]1O[C@H](c2nc(-c3cccc(OC4CC4)c3)no2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1cc(OC2CC2)cc(-c2ncon2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.33 | Num_heavy_atoms: | 25 |
| TPSA: | 138.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD32381
Formula: C11H10O2N2
Smiles:
c1cc(OC2CC2)cc(-c2ncon2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 48.15 | NumAromaticRings: | 2 |
