Glycoside
GD031349
Name:
NoneFormula:
C14H16O4N2Smiles:
O[C@@H]1[C@@H](c2nc(-c3ccccc3)c[nH]2)OC[C@@H](O)[C@H]1OAglycone:
c1ccc(-c2c[nH]cn2)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 98.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD18835
Formula: C9H8N2
Smiles:
c1ccc(-c2c[nH]cn2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.18 | Num_heavy_atoms: | 11 |
| TPSA: | 28.68 | NumAromaticRings: | 2 |
