Glycoside
GD061027
Name:
NoneFormula:
C17H21O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](n2cc(C3(c4ccccc4)CC3)nn2)[C@@H](O)[C@@H]1OAglycone:
C1=C(C2(c3ccccc3)CC2)N=N[N]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.37 | Num_heavy_atoms: | 25 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD29984
Formula: C11H10N3
Smiles:
C1=C(C2(c3ccccc3)CC2)N=N[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.22 | Num_heavy_atoms: | 14 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
