Glycoside
GD025024
Name:
NoneFormula:
C17H17O7N3Smiles:
O=c1ccc2ccc(OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)nn3)cc2o1Aglycone:
O=c1ccc2ccc(OCC3=C[N]N=N3)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.34 | Num_heavy_atoms: | 27 |
| TPSA: | 140.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD05468
Formula: C12H8O3N3
Smiles:
O=c1ccc2ccc(OCC3=C[N]N=N3)cc2o1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.21 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
