Glycoside
GD059237
Name:
NoneFormula:
C17H18O6N2Smiles:
O=C(Cc1nc(=O)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1Aglycone:
O=C1C=C[N]C(CC(=O)c2ccccc2)=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 121.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD29385
Formula: C12H9O2N2
Smiles:
O=C1C=C[N]C(CC(=O)c2ccccc2)=N1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.22 | Num_heavy_atoms: | 16 |
| TPSA: | 60.6 | NumAromaticRings: | 1 |
