Glycoside
GD061047
Name:
NoneFormula:
C16H18O5N4Smiles:
OC[C@H]1O[C@H](O)[C@H](n2cc(-c3c[nH]c4ccccc34)nn2)[C@@H](O)[C@@H]1OAglycone:
C1=C(c2c[nH]c3ccccc23)N=N[N]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 136.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD29968
Formula: C10H7N4
Smiles:
C1=C(c2c[nH]c3ccccc23)N=N[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 183.19 | Num_heavy_atoms: | 14 |
| TPSA: | 54.61 | NumAromaticRings: | 2 |
