Glycoside
GD044502
Name:
NoneFormula:
C13H17O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](n2cc(C3=CC=CC3)nn2)[C@@H](O)[C@@H]1OAglycone:
C1=CCC(C2=C[N]N=N2)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.3 | Num_heavy_atoms: | 21 |
| TPSA: | 120.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD25043
Formula: C7H6N3
Smiles:
C1=CCC(C2=C[N]N=N2)=C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.15 | Num_heavy_atoms: | 10 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
