Glycoside
GD028810
Name:
NoneFormula:
C22H19O6N3Smiles:
O=c1cc(-c2ccccc2)c2ccc(-c3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)nn3)cc2o1Aglycone:
O=c1cc(-c2ccccc2)c2ccc(C3=C[N]N=N3)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 421.41 | Num_heavy_atoms: | 31 |
| TPSA: | 130.84 | NumAromaticRings: | 4 |
Unique Aglycone
AD16641
Formula: C17H10O2N3
Smiles:
O=c1cc(-c2ccccc2)c2ccc(C3=C[N]N=N3)cc2o1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.29 | Num_heavy_atoms: | 22 |
| TPSA: | 69.03 | NumAromaticRings: | 3 |
